N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

C19H37N5O — CID 111995663

IUPACN-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESC=C(C)CN1CCC(N/C(=N/CCNC(=O)C(C)(C)C)NCC)CC1
InChIInChI=1S/C19H37N5O/c1-7-20-18(22-11-10-21-17(25)19(4,5)6)23-16-8-12-24(13-9-16)14-15(2)3/h16H,2,7-14H2,1,3-6H3,(H,21,25)(H2,20,22,23)
InChIKeyWNRHZDOKDUJWTP-UHFFFAOYSA-N
MW351.54 g/mol
LogP1.74
Rot. Bonds7

About N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 111995663) has the molecular formula C19H37N5O and a molecular weight of 351.54 g/mol. Its IUPAC name is N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID111995663
Molecular FormulaC19H37N5O
Molecular Weight351.54 g/mol
Exact Mass351.30
IUPAC NameN-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
SMILESC=C(C)CN1CCC(N/C(=N/CCNC(=O)C(C)(C)C)NCC)CC1
InChIInChI=1S/C19H37N5O/c1-7-20-18(22-11-10-21-17(25)19(4,5)6)23-16-8-12-24(13-9-16)14-15(2)3/h16H,2,7-14H2,1,3-6H3,(H,21,25)(H2,20,22,23)
InChIKeyWNRHZDOKDUJWTP-UHFFFAOYSA-N
XLogP1.74
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111992127
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110988783
N-[2-[[[[1-(cyclohexylmethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111993973
N-[2-[[ethylamino-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111992645
N-[2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110986633
N-[2-[[ethylamino-[[4-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111992352
N-[2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111918757
tert-butyl N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]carbamate
CID 111019949
N-[2-[[ethylamino-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111994685
N-[2-[[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111989722
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]-2,2-dimethylpropanamide
CID 111993491

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide (CID 111995663) is N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is C=C(C)CN1CCC(N/C(=N/CCNC(=O)C(C)(C)C)NCC)CC1.
What is the InChIKey of N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is WNRHZDOKDUJWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O/c1-7-20-18(22-11-10-21-17(25)19(4,5)6)23-16-8-12-24(13-9-16)14-15(2)3/h16H,2,7-14H2,1,3-6H3,(H,21,25)(H2,20,22,23).
What are the key properties of N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 351.54 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[[1-(2-methylprop-2-enyl)piperidin-4-yl]amino]methylidene]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 111995663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).