(3S)-3-(aminomethyl)hexan-1-ol

C7H17NO — CID 95566845

IUPAC(3S)-3-(aminomethyl)hexan-1-ol
SMILESCCC[C@H](CN)CCO
InChIInChI=1S/C7H17NO/c1-2-3-7(6-8)4-5-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyXIVNJRJCLPXNQF-ZETCQYMHSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds5

About (3S)-3-(aminomethyl)hexan-1-ol

(3S)-3-(aminomethyl)hexan-1-ol (PubChem CID 95566845) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)hexan-1-ol.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)hexan-1-ol
PubChem CID95566845
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(3S)-3-(aminomethyl)hexan-1-ol
SMILESCCC[C@H](CN)CCO
InChIInChI=1S/C7H17NO/c1-2-3-7(6-8)4-5-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1
InChIKeyXIVNJRJCLPXNQF-ZETCQYMHSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-propylhexan-1-ol
CID 142096808
2-propylheptan-1-amine
CID 21267775
3-propylheptan-1-ol
CID 22492543
3-propyloctan-1-ol
CID 22492569
2-(aminomethyl)-4-bromoheptan-1-ol
CID 166967667
2-propylhexane-1,4-diamine
CID 174915124
2,2-diethylpropane-1,3-diol;3-propylpentane-1,5-diol
CID 159824502
2-butylhexan-1-amine
CID 54041151
4-(2-hydroxyethyl)heptan-2-one
CID 143211527
4-(aminomethyl)-N,N-dimethylheptanamide
CID 112515140
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
5-ethyloctan-1-ol
CID 22492547

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)hexan-1-ol?
The IUPAC name of (3S)-3-(aminomethyl)hexan-1-ol (CID 95566845) is (3S)-3-(aminomethyl)hexan-1-ol.
What is the SMILES notation for (3S)-3-(aminomethyl)hexan-1-ol?
The canonical SMILES for (3S)-3-(aminomethyl)hexan-1-ol is CCC[C@H](CN)CCO.
What is the InChIKey of (3S)-3-(aminomethyl)hexan-1-ol?
The InChIKey is XIVNJRJCLPXNQF-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H17NO/c1-2-3-7(6-8)4-5-9/h7,9H,2-6,8H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)hexan-1-ol?
(3S)-3-(aminomethyl)hexan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)hexan-1-ol is sourced from PubChem (CID 95566845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).