(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide

C13H27N3O — CID 79024466

IUPAC(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide
SMILESCC[C@H](N)C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C13H27N3O/c1-4-12(14)13(17)16(10-9-15(2)3)11-7-5-6-8-11/h11-12H,4-10,14H2,1-3H3/t12-/m0/s1
InChIKeyDIIOFCRXCVDYJN-LBPRGKRZSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds6

About (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide

(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide (PubChem CID 79024466) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide
PubChem CID79024466
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide
SMILESCC[C@H](N)C(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C13H27N3O/c1-4-12(14)13(17)16(10-9-15(2)3)11-7-5-6-8-11/h11-12H,4-10,14H2,1-3H3/t12-/m0/s1
InChIKeyDIIOFCRXCVDYJN-LBPRGKRZSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]hexanamide
CID 54873886
2-amino-N-cyclohexyl-N-ethylbutanamide
CID 43649420
(2S)-2-amino-N-cycloheptyl-N-methylbutanamide;hydrochloride
CID 119275217
2-amino-N-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 60947245
3-chloro-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 62726840
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60954174
2-amino-N-cyclohexyl-N-ethyl-3-methoxypropanamide
CID 81080942
2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
CID 54873874
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
CID 103831497
2-(aminomethyl)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-ethylbutanamide
CID 115432203
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide (CID 79024466) is (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide is CC[C@H](N)C(=O)N(CCN(C)C)C1CCCC1.
What is the InChIKey of (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide?
The InChIKey is DIIOFCRXCVDYJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-12(14)13(17)16(10-9-15(2)3)11-7-5-6-8-11/h11-12H,4-10,14H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide?
(2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]butanamide is sourced from PubChem (CID 79024466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).