2-(aminomethyl)-N-(2-methylbutyl)butanamide

C10H22N2O — CID 62691581

IUPAC2-(aminomethyl)-N-(2-methylbutyl)butanamide
SMILESCCC(C)CNC(=O)C(CC)CN
InChIInChI=1S/C10H22N2O/c1-4-8(3)7-12-10(13)9(5-2)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWZDRHFVPCSSCPH-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.13
Rot. Bonds6

About 2-(aminomethyl)-N-(2-methylbutyl)butanamide

2-(aminomethyl)-N-(2-methylbutyl)butanamide (PubChem CID 62691581) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylbutyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylbutyl)butanamide
PubChem CID62691581
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-(aminomethyl)-N-(2-methylbutyl)butanamide
SMILESCCC(C)CNC(=O)C(CC)CN
InChIInChI=1S/C10H22N2O/c1-4-8(3)7-12-10(13)9(5-2)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyWZDRHFVPCSSCPH-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-methylbutyl)propanamide
CID 59620908
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
3-amino-2-methoxy-N-(2-methylbutyl)propanamide
CID 106112770
N-(3-amino-2-methylpropyl)-2-methylbutanamide
CID 62666098
2-(aminomethyl)-N-(3-aminopropyl)butanamide
CID 65229428
2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)butanamide
CID 65227956
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
N-(2-aminopropyl)-2-ethylbutanamide
CID 63732725
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylbutyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylbutyl)butanamide (CID 62691581) is 2-(aminomethyl)-N-(2-methylbutyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylbutyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylbutyl)butanamide is CCC(C)CNC(=O)C(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylbutyl)butanamide?
The InChIKey is WZDRHFVPCSSCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-8(3)7-12-10(13)9(5-2)6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-N-(2-methylbutyl)butanamide?
2-(aminomethyl)-N-(2-methylbutyl)butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylbutyl)butanamide is sourced from PubChem (CID 62691581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).