3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide

C12H26N2O2 — CID 106349751

IUPAC3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
SMILESCCC(CN)CC(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H26N2O2/c1-4-10(8-13)7-12(16)14-11(5-6-15)9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyKPWRKOJENSZFAM-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds8

About 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide

3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide (PubChem CID 106349751) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
PubChem CID106349751
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide
SMILESCCC(CN)CC(=O)NC(CCO)C(C)C
InChIInChI=1S/C12H26N2O2/c1-4-10(8-13)7-12(16)14-11(5-6-15)9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyKPWRKOJENSZFAM-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)hexanamide
CID 114176914
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 104828170
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
3-(aminomethyl)pentanehydrazide
CID 81079841
N-(1-hydroxy-4-methylpentan-3-yl)-2-(methylamino)acetamide
CID 103810718
(2S)-2-[3-(aminomethyl)pentanoylamino]-4-methylpentanoic acid
CID 81087218
3-chloro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 106349277
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
3-(aminomethyl)-N-(1-cyclohexylethyl)pentanamide
CID 81086978
3-(aminomethyl)-N-(5-hydroxy-4-methylpentyl)pentanamide
CID 106161224

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide (CID 106349751) is 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide is CCC(CN)CC(=O)NC(CCO)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide?
The InChIKey is KPWRKOJENSZFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-10(8-13)7-12(16)14-11(5-6-15)9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide?
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-3-yl)pentanamide is sourced from PubChem (CID 106349751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).