(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide

C16H33N3O — CID 61211747

IUPAC(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-13(3)14(17)15(20)18-11-16(19(4)5)9-7-8-12(2)10-16/h12-14H,6-11,17H2,1-5H3,(H,18,20)/t12?,13?,14-,16?/m0/s1
InChIKeyKAVRXHUUEQBZEM-JNJRBNHSSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds6

About (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide

(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide (PubChem CID 61211747) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
PubChem CID61211747
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H33N3O/c1-6-13(3)14(17)15(20)18-11-16(19(4)5)9-7-8-12(2)10-16/h12-14H,6-11,17H2,1-5H3,(H,18,20)/t12?,13?,14-,16?/m0/s1
InChIKeyKAVRXHUUEQBZEM-JNJRBNHSSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide 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

(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559
(2S,3S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylpentanamide
CID 105417156
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
2-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylpentanamide
CID 65119904
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
2-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 65229264
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentanamide
CID 81071607
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-ethylpropanamide
CID 61211364
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110902752
3-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pentanamide
CID 81086937
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxypentan-3-yl)urea
CID 111454746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide (CID 61211747) is (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NCC1(N(C)C)CCCC(C)C1.
What is the InChIKey of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide?
The InChIKey is KAVRXHUUEQBZEM-JNJRBNHSSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-13(3)14(17)15(20)18-11-16(19(4)5)9-7-8-12(2)10-16/h12-14H,6-11,17H2,1-5H3,(H,18,20)/t12?,13?,14-,16?/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide?
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide is sourced from PubChem (CID 61211747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).