2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide

C12H26N2O3 — CID 114010603

IUPAC2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
SMILESCCC(CO)(CO)NC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H26N2O3/c1-4-12(7-15,8-16)14-11(17)10(6-13)5-9(2)3/h9-10,15-16H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyCSDSWUKAMYWBFO-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.14
Rot. Bonds8

About 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide

2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide (PubChem CID 114010603) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
PubChem CID114010603
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
SMILESCCC(CO)(CO)NC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H26N2O3/c1-4-12(7-15,8-16)14-11(17)10(6-13)5-9(2)3/h9-10,15-16H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyCSDSWUKAMYWBFO-UHFFFAOYSA-N
XLogP-0.14
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 112738158
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide
CID 107865586
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
CID 104903603
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 103891023
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-3,3-dimethylbutanamide
CID 103929829
N-[3-(aminomethyl)pentan-3-yl]-2-propylpentanamide
CID 82987241
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
CID 114010724
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide (CID 114010603) is 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide is CCC(CO)(CO)NC(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide?
The InChIKey is CSDSWUKAMYWBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-4-12(7-15,8-16)14-11(17)10(6-13)5-9(2)3/h9-10,15-16H,4-8,13H2,1-3H3,(H,14,17).
What are the key properties of 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide?
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide has a molecular weight of 246.35 g/mol, XLogP of -0.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 114010603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).