2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide

C13H26N2O — CID 107398412

IUPAC2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CC)CC1CCC1
InChIInChI=1S/C13H26N2O/c1-4-10(3)12(14)13(16)15(5-2)9-11-7-6-8-11/h10-12H,4-9,14H2,1-3H3
InChIKeyZINSOKAIQCJERR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds6

About 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide

2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide (PubChem CID 107398412) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
PubChem CID107398412
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)N(CC)CC1CCC1
InChIInChI=1S/C13H26N2O/c1-4-10(3)12(14)13(16)15(5-2)9-11-7-6-8-11/h10-12H,4-9,14H2,1-3H3
InChIKeyZINSOKAIQCJERR-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclobutylmethyl)-N,3-dimethylpentanamide
CID 62862218
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
(2S)-2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 61174275
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-methylpentanamide
CID 54873047
2-amino-N-(cyclobutylmethyl)-N-ethyl-4-methoxybutanamide
CID 107398526
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
2-amino-N-(cyclopropylmethyl)-N-ethyl-4-methylpentanamide
CID 63954154
(2R)-2-amino-N,N-bis(cyclopropylmethyl)-3-methylbutanamide
CID 79012331
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
2-amino-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pentanamide
CID 119855609

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide?
The IUPAC name of 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide (CID 107398412) is 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide is CCC(C)C(N)C(=O)N(CC)CC1CCC1.
What is the InChIKey of 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide?
The InChIKey is ZINSOKAIQCJERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10(3)12(14)13(16)15(5-2)9-11-7-6-8-11/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide?
2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide is sourced from PubChem (CID 107398412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).