2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide

C17H35N3O — CID 62010007

IUPAC2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
SMILESCCCN(CC(=O)NC1CCCCC1)C(CC)(CC)CN
InChIInChI=1S/C17H35N3O/c1-4-12-20(17(5-2,6-3)14-18)13-16(21)19-15-10-8-7-9-11-15/h15H,4-14,18H2,1-3H3,(H,19,21)
InChIKeyNUXLDFZJVPBCQF-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.66
Rot. Bonds9

About 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide

2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide (PubChem CID 62010007) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
PubChem CID62010007
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
SMILESCCCN(CC(=O)NC1CCCCC1)C(CC)(CC)CN
InChIInChI=1S/C17H35N3O/c1-4-12-20(17(5-2,6-3)14-18)13-16(21)19-15-10-8-7-9-11-15/h15H,4-14,18H2,1-3H3,(H,19,21)
InChIKeyNUXLDFZJVPBCQF-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-cyclopentylacetamide
CID 62007585
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
1-[3-(aminomethyl)pentan-3-yl]-3-cyclobutyl-1-propylurea
CID 116658174
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
CID 62548949
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62008996
2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide
CID 65050753
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
CID 63230630
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide (CID 62010007) is 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide is CCCN(CC(=O)NC1CCCCC1)C(CC)(CC)CN.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide?
The InChIKey is NUXLDFZJVPBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-12-20(17(5-2,6-3)14-18)13-16(21)19-15-10-8-7-9-11-15/h15H,4-14,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide?
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide has a molecular weight of 297.49 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 62010007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).