4-(aminomethyl)-2,4-dimethylhexan-2-ol

C9H21NO — CID 89363832

IUPAC4-(aminomethyl)-2,4-dimethylhexan-2-ol
SMILESCCC(C)(CN)CC(C)(C)O
InChIInChI=1S/C9H21NO/c1-5-9(4,7-10)6-8(2,3)11/h11H,5-7,10H2,1-4H3
InChIKeyYRLYGOZJBZDBGI-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.52
Rot. Bonds4

About 4-(aminomethyl)-2,4-dimethylhexan-2-ol

4-(aminomethyl)-2,4-dimethylhexan-2-ol (PubChem CID 89363832) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4-(aminomethyl)-2,4-dimethylhexan-2-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2,4-dimethylhexan-2-ol
PubChem CID89363832
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4-(aminomethyl)-2,4-dimethylhexan-2-ol
SMILESCCC(C)(CN)CC(C)(C)O
InChIInChI=1S/C9H21NO/c1-5-9(4,7-10)6-8(2,3)11/h11H,5-7,10H2,1-4H3
InChIKeyYRLYGOZJBZDBGI-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(methylideneamino)methyl]butan-1-amine
CID 163789947
2-methyl-2-(phosphanylmethyl)butan-1-amine
CID 123759259
methanamine;2-methylbutan-2-ol
CID 142079467
4-[(butan-2-ylideneamino)methyl]-2-ethyl-2,4-dimethylhexan-1-amine
CID 123912194
1-amino-2-methylpropan-2-ol;ethanol;tantalum
CID 174826952
2-ethyl-2,5-dimethylhex-4-en-1-amine
CID 130514715
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
3-ethyl-3-methylpentane;methanol
CID 143799596
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
1-aminobutane-2,2-diol
CID 158169246
1-amino-3,3-dimethylpentane-2,2-diol
CID 87668093
1-amino-3-methylpentan-3-ol
CID 54320456

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,4-dimethylhexan-2-ol?
The IUPAC name of 4-(aminomethyl)-2,4-dimethylhexan-2-ol (CID 89363832) is 4-(aminomethyl)-2,4-dimethylhexan-2-ol.
What is the SMILES notation for 4-(aminomethyl)-2,4-dimethylhexan-2-ol?
The canonical SMILES for 4-(aminomethyl)-2,4-dimethylhexan-2-ol is CCC(C)(CN)CC(C)(C)O.
What is the InChIKey of 4-(aminomethyl)-2,4-dimethylhexan-2-ol?
The InChIKey is YRLYGOZJBZDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(4,7-10)6-8(2,3)11/h11H,5-7,10H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2,4-dimethylhexan-2-ol?
4-(aminomethyl)-2,4-dimethylhexan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,4-dimethylhexan-2-ol is sourced from PubChem (CID 89363832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).