4-(aminomethyl)hexan-3-ol

C7H17NO — CID 19890519

IUPAC4-(aminomethyl)hexan-3-ol
SMILESCCC(O)C(CC)CN
InChIInChI=1S/C7H17NO/c1-3-6(5-8)7(9)4-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyUPVSZHJAUAVPBW-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.74
Rot. Bonds4

About 4-(aminomethyl)hexan-3-ol

4-(aminomethyl)hexan-3-ol (PubChem CID 19890519) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-(aminomethyl)hexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)hexan-3-ol
PubChem CID19890519
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-(aminomethyl)hexan-3-ol
SMILESCCC(O)C(CC)CN
InChIInChI=1S/C7H17NO/c1-3-6(5-8)7(9)4-2/h6-7,9H,3-5,8H2,1-2H3
InChIKeyUPVSZHJAUAVPBW-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)hexan-3-ol?
The IUPAC name of 4-(aminomethyl)hexan-3-ol (CID 19890519) is 4-(aminomethyl)hexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)hexan-3-ol?
The canonical SMILES for 4-(aminomethyl)hexan-3-ol is CCC(O)C(CC)CN.
What is the InChIKey of 4-(aminomethyl)hexan-3-ol?
The InChIKey is UPVSZHJAUAVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-6(5-8)7(9)4-2/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 4-(aminomethyl)hexan-3-ol?
4-(aminomethyl)hexan-3-ol has a molecular weight of 131.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)hexan-3-ol is sourced from PubChem (CID 19890519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).