N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide

C18H38IN5O2 — CID 111993642

IUPACN-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)C(C)C)NC1CCN(CCCOC)CC1.I
InChIInChI=1S/C18H37N5O2.HI/c1-5-19-18(21-10-9-20-17(24)15(2)3)22-16-7-12-23(13-8-16)11-6-14-25-4;/h15-16H,5-14H2,1-4H3,(H,20,24)(H2,19,21,22);1H
InChIKeyNVKSVYWGMPRXHY-UHFFFAOYSA-N
MW483.44 g/mol
LogP1.43
Rot. Bonds10

About N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide

N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide (PubChem CID 111993642) has the molecular formula C18H38IN5O2 and a molecular weight of 483.44 g/mol. Its IUPAC name is N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
PubChem CID111993642
Molecular FormulaC18H38IN5O2
Molecular Weight483.44 g/mol
Exact Mass483.21
IUPAC NameN-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
SMILESCCN/C(=N\CCNC(=O)C(C)C)NC1CCN(CCCOC)CC1.I
InChIInChI=1S/C18H37N5O2.HI/c1-5-19-18(21-10-9-20-17(24)15(2)3)22-16-7-12-23(13-8-16)11-6-14-25-4;/h15-16H,5-14H2,1-4H3,(H,20,24)(H2,19,21,22);1H
InChIKeyNVKSVYWGMPRXHY-UHFFFAOYSA-N
XLogP1.43
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111992910
N-[2-[[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111989722
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
N-[2-[[[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111995744
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991889
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine
CID 111993689
N-[2-[[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111989677
tert-butyl N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]carbamate;hydroiodide
CID 111019948
N-[2-[[ethylamino-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111991478
1-ethyl-2-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993524
tert-butyl N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]carbamate
CID 111019949
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-[1-(3-methoxypropyl)piperidin-4-yl]guanidine;hydroiodide
CID 111993532

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide?
The IUPAC name of N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide (CID 111993642) is N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide.
What is the SMILES notation for N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide?
The canonical SMILES for N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide is CCN/C(=N\CCNC(=O)C(C)C)NC1CCN(CCCOC)CC1.I.
What is the InChIKey of N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide?
The InChIKey is NVKSVYWGMPRXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O2.HI/c1-5-19-18(21-10-9-20-17(24)15(2)3)22-16-7-12-23(13-8-16)11-6-14-25-4;/h15-16H,5-14H2,1-4H3,(H,20,24)(H2,19,21,22);1H.
What are the key properties of N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide?
N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide has a molecular weight of 483.44 g/mol, XLogP of 1.43, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[[1-(3-methoxypropyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide is sourced from PubChem (CID 111993642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).