2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide

C11H24N2O2 — CID 65228765

IUPAC2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(CN)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C11H24N2O2/c1-4-9(6-12)11(15)13-10(7-14)5-8(2)3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyNIYRKCBTXMPHQD-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.49
Rot. Bonds7

About 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide

2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide (PubChem CID 65228765) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
PubChem CID65228765
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
SMILESCCC(CN)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C11H24N2O2/c1-4-9(6-12)11(15)13-10(7-14)5-8(2)3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyNIYRKCBTXMPHQD-UHFFFAOYSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)butanamide
CID 61246170
2-[2-(aminomethyl)butanoylamino]-4-methylpentanoic acid
CID 65227373
N-(1-hydroxy-4-methylpentan-2-yl)-2-propylpentanamide
CID 82987600
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61245278
2-amino-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247041
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylpentanamide
CID 61246451
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
2-(carbamoylamino)-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43428008
2-(carbamoylamino)-N-[(2R)-1-hydroxybutan-2-yl]-4-methylpentanamide
CID 113498876
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide (CID 65228765) is 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide is CCC(CN)C(=O)NC(CO)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
The InChIKey is NIYRKCBTXMPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-9(6-12)11(15)13-10(7-14)5-8(2)3/h8-10,14H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide?
2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)butanamide is sourced from PubChem (CID 65228765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).