N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide

C13H26N2O — CID 81391367

IUPACN-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C13H26N2O/c1-4-14-10(2)9-13(16)15-11(3)12-7-5-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyAAXXBMFTNZDAHX-DTIOYNMSSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds6

About N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide

N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide (PubChem CID 81391367) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide
PubChem CID81391367
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C13H26N2O/c1-4-14-10(2)9-13(16)15-11(3)12-7-5-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyAAXXBMFTNZDAHX-DTIOYNMSSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
3-(ethylamino)-N-(4-ethylcyclohexyl)butanamide
CID 62838015
3-(ethylamino)-N-(oxan-4-yl)butanamide
CID 62838798
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-[(1R)-1-cyclopentylethyl]-2-ethoxyacetamide
CID 81389829
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
3-cyclohexyl-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650989
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide (CID 81391367) is N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)N[C@@H](C)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide?
The InChIKey is AAXXBMFTNZDAHX-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-14-10(2)9-13(16)15-11(3)12-7-5-6-8-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide?
N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 81391367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).