3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide

C17H34N2O — CID 63833043

IUPAC3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide
SMILESCCCNC1CCC(NC(=O)CC(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-6-11-18-14-7-9-15(10-8-14)19-16(20)12-13(2)17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyPYGLUWMSALOWCM-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.49
Rot. Bonds6

About 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide

3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide (PubChem CID 63833043) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide
PubChem CID63833043
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide
SMILESCCCNC1CCC(NC(=O)CC(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-6-11-18-14-7-9-15(10-8-14)19-16(20)12-13(2)17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyPYGLUWMSALOWCM-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4,4-trimethylpentanamide;hydrochloride
CID 119455472
N-cyclopropyl-3-methylhexanamide
CID 155359047
N'-cyclopropyl-2-(propylamino)butanediamide
CID 66430402
(3S)-3-hydroxy-N-(4-methylcyclohexyl)butanamide
CID 89423792
N-[4-[(cyclopropylamino)methyl]phenyl]-3,4,4-trimethylpentanamide
CID 106910594
N-[4-(propylamino)cyclohexyl]cyclooctanecarboxamide
CID 65019205
2-(3-ethoxycyclobutyl)-N-[4-(propylamino)cyclohexyl]acetamide
CID 103162231
N-[4-(ethylamino)cyclohexyl]-N,3,4,4-tetramethylpentanamide
CID 79122094
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide (CID 63833043) is 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide is CCCNC1CCC(NC(=O)CC(C)C(C)(C)C)CC1.
What is the InChIKey of 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide?
The InChIKey is PYGLUWMSALOWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-11-18-14-7-9-15(10-8-14)19-16(20)12-13(2)17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide?
3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide has a molecular weight of 282.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-[4-(propylamino)cyclohexyl]pentanamide is sourced from PubChem (CID 63833043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).