2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide

C12H26N2O2 — CID 106188010

IUPAC2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
SMILESCCCC(CN)C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H26N2O2/c1-6-7-9(8-13)10(15)14-11(2,3)12(4,5)16/h9,16H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyYLBNEKXKEZZDEU-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.03
Rot. Bonds6

About 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide

2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide (PubChem CID 106188010) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
PubChem CID106188010
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
SMILESCCCC(CN)C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H26N2O2/c1-6-7-9(8-13)10(15)14-11(2,3)12(4,5)16/h9,16H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyYLBNEKXKEZZDEU-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide
CID 106188088
2-[2-(aminomethyl)pentanoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798389
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylbutanamide
CID 106187972
2-[2-(aminomethyl)pentanoylamino]-3,3-dimethylbutanoic acid
CID 65229352
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
2-(aminomethyl)-N-ethylsulfonylpentanamide
CID 103306734
2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 114167201
methyl 2-(aminomethyl)pentanoate
CID 65220226
2-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]pentanoic acid
CID 107472290
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2-propylpentanamide
CID 82984485
(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422
4-[2-(aminomethyl)pentanoylamino]-2-methylbutanoic acid
CID 80539749

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide (CID 106188010) is 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide is CCCC(CN)C(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide?
The InChIKey is YLBNEKXKEZZDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-7-9(8-13)10(15)14-11(2,3)12(4,5)16/h9,16H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide?
2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pentanamide is sourced from PubChem (CID 106188010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).