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

C15H31N3O — CID 61211559

IUPAC(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
SMILESCC1CCCC(CNC(=O)[C@@H](N)C(C)C)(N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-11(2)13(16)14(19)17-10-15(18(4)5)8-6-7-12(3)9-15/h11-13H,6-10,16H2,1-5H3,(H,17,19)/t12?,13-,15?/m0/s1
InChIKeyAIMJCXZZILKHGA-OWYJLGKBSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds5

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

(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide (PubChem CID 61211559) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
PubChem CID61211559
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
SMILESCC1CCCC(CNC(=O)[C@@H](N)C(C)C)(N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-11(2)13(16)14(19)17-10-15(18(4)5)8-6-7-12(3)9-15/h11-13H,6-10,16H2,1-5H3,(H,17,19)/t12?,13-,15?/m0/s1
InChIKeyAIMJCXZZILKHGA-OWYJLGKBSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpentanamide
CID 61211747
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
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
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide (CID 61211559) is (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide is CC1CCCC(CNC(=O)[C@@H](N)C(C)C)(N(C)C)C1.
What is the InChIKey of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide?
The InChIKey is AIMJCXZZILKHGA-OWYJLGKBSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)13(16)14(19)17-10-15(18(4)5)8-6-7-12(3)9-15/h11-13H,6-10,16H2,1-5H3,(H,17,19)/t12?,13-,15?/m0/s1.
What are the key properties of (2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide?
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 5 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-methylbutanamide is sourced from PubChem (CID 61211559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).