(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide

C13H27N3O — CID 113304850

IUPAC(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC1CCN(CC)C1
InChIInChI=1S/C13H27N3O/c1-3-5-6-12(14)13(17)15-9-11-7-8-16(4-2)10-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyWDTGCNHBASYULQ-KIYNQFGBSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide

(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide (PubChem CID 113304850) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
PubChem CID113304850
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCC1CCN(CC)C1
InChIInChI=1S/C13H27N3O/c1-3-5-6-12(14)13(17)15-9-11-7-8-16(4-2)10-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t11?,12-/m0/s1
InChIKeyWDTGCNHBASYULQ-KIYNQFGBSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
CID 81083023
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
2-amino-N-[(3-hydroxycyclopentyl)methyl]hexanamide
CID 106134012
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentanamide;dihydrochloride
CID 119854796
3-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 62851851
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
(2S)-2-amino-N-(2-cyclopropylethyl)hexanamide
CID 103831775
(2S)-2-amino-4-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 119885169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide (CID 113304850) is (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide is CCCC[C@H](N)C(=O)NCC1CCN(CC)C1.
What is the InChIKey of (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide?
The InChIKey is WDTGCNHBASYULQ-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-5-6-12(14)13(17)15-9-11-7-8-16(4-2)10-11/h11-12H,3-10,14H2,1-2H3,(H,15,17)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide?
(2S)-2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]hexanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 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-ethylpyrrolidin-3-yl)methyl]hexanamide is sourced from PubChem (CID 113304850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).