3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide

C17H35N3O — CID 62781114

IUPAC3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
SMILESCC(C)N(C)CCCCNC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C17H35N3O/c1-14(2)20(3)13-5-4-12-19-17(21)11-8-15-6-9-16(18)10-7-15/h14-16H,4-13,18H2,1-3H3,(H,19,21)
InChIKeyZFFJBRCRPSLVJL-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds9

About 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide

3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide (PubChem CID 62781114) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
PubChem CID62781114
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
SMILESCC(C)N(C)CCCCNC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C17H35N3O/c1-14(2)20(3)13-5-4-12-19-17(21)11-8-15-6-9-16(18)10-7-15/h14-16H,4-13,18H2,1-3H3,(H,19,21)
InChIKeyZFFJBRCRPSLVJL-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
3-(3-aminocyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 80700385
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
CID 62777706
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 62641512
2-(tert-butylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 78958479
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
CID 55116663
3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide
CID 82949436
3-(2-aminoethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 62806950
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide (CID 62781114) is 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide is CC(C)N(C)CCCCNC(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
The InChIKey is ZFFJBRCRPSLVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-14(2)20(3)13-5-4-12-19-17(21)11-8-15-6-9-16(18)10-7-15/h14-16H,4-13,18H2,1-3H3,(H,19,21).
What are the key properties of 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide?
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide is sourced from PubChem (CID 62781114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).