N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide

C18H34N4O — CID 111144644

IUPACN-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC1CCCCC1)N1CCCC(C)C1
InChIInChI=1S/C18H34N4O/c1-3-19-18(22-13-7-8-15(2)14-22)20-12-11-17(23)21-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyUTRIPGCHKHEFOH-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.52
Rot. Bonds5

About N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide

N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide (PubChem CID 111144644) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
PubChem CID111144644
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC NameN-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NC1CCCCC1)N1CCCC(C)C1
InChIInChI=1S/C18H34N4O/c1-3-19-18(22-13-7-8-15(2)14-22)20-12-11-17(23)21-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3,(H,19,20)(H,21,23)
InChIKeyUTRIPGCHKHEFOH-UHFFFAOYSA-N
XLogP2.52
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 111145045
N-cyclopentyl-3-[[ethylamino-[3-(methoxymethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111736603
N-cyclopentyl-3-[[ethylamino-(2-ethylthiomorpholin-4-yl)methylidene]amino]propanamide
CID 109487070
N-cyclohexyl-3-[[ethylamino-(3-phenylpyrrolidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 111723766
N-cyclohexyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 111145291
N-ethyl-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443764
N-cyclohexyl-2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111153660
N-cyclopropyl-4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butanamide;hydroiodide
CID 110956221
N-cyclopentyl-3-[[(2,2-dimethylthiomorpholin-4-yl)-(ethylamino)methylidene]amino]propanamide
CID 109489825
3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]-N-(5-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111145575
N-cyclopentyl-3-[[ethylamino-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111749331
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
CID 111144020

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide (CID 111144644) is N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide is CCN/C(=N\CCC(=O)NC1CCCCC1)N1CCCC(C)C1.
What is the InChIKey of N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide?
The InChIKey is UTRIPGCHKHEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-3-19-18(22-13-7-8-15(2)14-22)20-12-11-17(23)21-16-9-5-4-6-10-16/h15-16H,3-14H2,1-2H3,(H,19,20)(H,21,23).
What are the key properties of N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide?
N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide has a molecular weight of 322.50 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]propanamide is sourced from PubChem (CID 111144644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).