3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide

C15H30N2O — CID 55117162

IUPAC3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C15H30N2O/c1-4-11(2)12(3)17-15(18)10-7-13-5-8-14(16)9-6-13/h11-14H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyBDILIQVYAPLDDM-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.83
Rot. Bonds6

About 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide

3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide (PubChem CID 55117162) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
PubChem CID55117162
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)NC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C15H30N2O/c1-4-11(2)12(3)17-15(18)10-7-13-5-8-14(16)9-6-13/h11-14H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyBDILIQVYAPLDDM-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 103790464
2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
CID 55116663
3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide
CID 82949436
2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
CID 120520784
4-amino-N-(3-methylpentan-2-yl)butanamide
CID 61464020
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
4-amino-1-cyclopropyl-5-methylheptan-3-one
CID 116552846
3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
CID 62777706
7-amino-N-(3-methylpentan-2-yl)heptanamide
CID 61464292
2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 115729568
(2S)-2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 119360526
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide (CID 55117162) is 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide is CCC(C)C(C)NC(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide?
The InChIKey is BDILIQVYAPLDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-11(2)12(3)17-15(18)10-7-13-5-8-14(16)9-6-13/h11-14H,4-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide?
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide is sourced from PubChem (CID 55117162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).