2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide

C17H35N3O — CID 106592817

IUPAC2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H35N3O/c1-12(2)9-16(11-20(4)5)19-17(21)13(3)14-7-6-8-15(18)10-14/h12-16H,6-11,18H2,1-5H3,(H,19,21)
InChIKeyXKIIDZWAGSHPNP-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.23
Rot. Bonds7

About 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide

2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide (PubChem CID 106592817) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
PubChem CID106592817
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
SMILESCC(C)CC(CN(C)C)NC(=O)C(C)C1CCCC(N)C1
InChIInChI=1S/C17H35N3O/c1-12(2)9-16(11-20(4)5)19-17(21)13(3)14-7-6-8-15(18)10-14/h12-16H,6-11,18H2,1-5H3,(H,19,21)
InChIKeyXKIIDZWAGSHPNP-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]acetamide
CID 62782922
2-(3-aminocyclohexyl)-N-(6-methylheptan-2-yl)propanamide
CID 106592764
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
CID 106592741
2-(3-aminocyclohexyl)-N-(1-ethoxypropan-2-yl)propanamide
CID 106592825
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
2-(3-aminocyclohexyl)-N-heptan-2-ylpropanamide
CID 106592721
2-(3-aminocyclohexyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 106592660
3-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120503128
1-cyclopentyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 86811911
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide (CID 106592817) is 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide is CC(C)CC(CN(C)C)NC(=O)C(C)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
The InChIKey is XKIIDZWAGSHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-12(2)9-16(11-20(4)5)19-17(21)13(3)14-7-6-8-15(18)10-14/h12-16H,6-11,18H2,1-5H3,(H,19,21).
What are the key properties of 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide?
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide has a molecular weight of 297.49 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide is sourced from PubChem (CID 106592817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).