N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide

C13H26N2O — CID 119407411

IUPACN-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
SMILESCC(CC1CCCCC1)C(=O)NCCCN
InChIInChI=1S/C13H26N2O/c1-11(13(16)15-9-5-8-14)10-12-6-3-2-4-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyGVUSBVRVSPBYDN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds6

About N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide

N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide (PubChem CID 119407411) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
PubChem CID119407411
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
SMILESCC(CC1CCCCC1)C(=O)NCCCN
InChIInChI=1S/C13H26N2O/c1-11(13(16)15-9-5-8-14)10-12-6-3-2-4-7-12/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyGVUSBVRVSPBYDN-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylpropyl)-3-cyclohexyl-2-methylpropanamide
CID 119996085
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632
(2S)-5-amino-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid;hydrofluoride
CID 162184889
N-(3-aminopropyl)-3-cyclohexylbutanamide;hydrochloride
CID 119408410
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
3-cyclopentyl-N-[(2S)-2-(dimethylamino)propyl]-2-methylpropanamide
CID 122152789
N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119574532
N-[2-(aminomethyl)cyclopentyl]-3-cyclohexyl-2-methylpropanamide;hydrochloride
CID 119603444

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide (CID 119407411) is N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide is CC(CC1CCCCC1)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide?
The InChIKey is GVUSBVRVSPBYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(13(16)15-9-5-8-14)10-12-6-3-2-4-7-12/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide?
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 119407411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).