(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide

C13H26N2O — CID 104873493

IUPAC(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N(C)C1CCC1
InChIInChI=1S/C13H26N2O/c1-10(2)7-11(9-14)8-13(16)15(3)12-5-4-6-12/h10-12H,4-9,14H2,1-3H3/t11-/m0/s1
InChIKeyNUPVOTCZHYTBPP-NSHDSACASA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds6

About (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide

(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide (PubChem CID 104873493) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
PubChem CID104873493
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)N(C)C1CCC1
InChIInChI=1S/C13H26N2O/c1-10(2)7-11(9-14)8-13(16)15(3)12-5-4-6-12/h10-12H,4-9,14H2,1-3H3/t11-/m0/s1
InChIKeyNUPVOTCZHYTBPP-NSHDSACASA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
CID 120591072
3-(aminomethyl)-N,N-diethyl-5-methylhexanamide
CID 25143769
3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
CID 116577015
4-(aminomethyl)-1-cyclohexyl-6-methylheptan-2-one
CID 116576928
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122155414
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
3-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-5-methylhexanamide
CID 106135609
(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
CID 83020793
(3S)-3-(aminomethyl)-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]hexanamide
CID 106026147
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625
4-[[[(3S)-3-(aminomethyl)-5-methylhexanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525645
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide (CID 104873493) is (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide is CC(C)C[C@H](CN)CC(=O)N(C)C1CCC1.
What is the InChIKey of (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide?
The InChIKey is NUPVOTCZHYTBPP-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)7-11(9-14)8-13(16)15(3)12-5-4-6-12/h10-12H,4-9,14H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide?
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide is sourced from PubChem (CID 104873493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).