(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide

C15H31N3O — CID 119850509

IUPAC(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C1CCCCC1)N(C)C
InChIInChI=1S/C15H31N3O/c1-11(2)14(16)15(19)17-10-13(18(3)4)12-8-6-5-7-9-12/h11-14H,5-10,16H2,1-4H3,(H,17,19)/t13?,14-/m0/s1
InChIKeyWDXHWMFVQUYARU-KZUDCZAMSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds6

About (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide (PubChem CID 119850509) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
PubChem CID119850509
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C1CCCCC1)N(C)C
InChIInChI=1S/C15H31N3O/c1-11(2)14(16)15(19)17-10-13(18(3)4)12-8-6-5-7-9-12/h11-14H,5-10,16H2,1-4H3,(H,17,19)/t13?,14-/m0/s1
InChIKeyWDXHWMFVQUYARU-KZUDCZAMSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]pentanamide;dihydrochloride
CID 119850478
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-4-methylsulfanylbutanamide;dihydrochloride
CID 119850474
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-phenylacetamide;dihydrochloride
CID 119850460
(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 82961708
(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride
CID 119859211
2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]pentanamide
CID 119859192
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
CID 94119176
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 81433975
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide (CID 119850509) is (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(C1CCCCC1)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide?
The InChIKey is WDXHWMFVQUYARU-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)14(16)15(19)17-10-13(18(3)4)12-8-6-5-7-9-12/h11-14H,5-10,16H2,1-4H3,(H,17,19)/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 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-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 119850509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).