3-(aminomethyl)-4,5-dimethylheptan-4-ol

C10H23NO — CID 79134739

IUPAC3-(aminomethyl)-4,5-dimethylheptan-4-ol
SMILESCCC(C)C(C)(O)C(CC)CN
InChIInChI=1S/C10H23NO/c1-5-8(3)10(4,12)9(6-2)7-11/h8-9,12H,5-7,11H2,1-4H3
InChIKeyTZQVHTAEWKTQDS-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds5

About 3-(aminomethyl)-4,5-dimethylheptan-4-ol

3-(aminomethyl)-4,5-dimethylheptan-4-ol (PubChem CID 79134739) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(aminomethyl)-4,5-dimethylheptan-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4,5-dimethylheptan-4-ol
PubChem CID79134739
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(aminomethyl)-4,5-dimethylheptan-4-ol
SMILESCCC(C)C(C)(O)C(CC)CN
InChIInChI=1S/C10H23NO/c1-5-8(3)10(4,12)9(6-2)7-11/h8-9,12H,5-7,11H2,1-4H3
InChIKeyTZQVHTAEWKTQDS-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,5-dimethylheptan-4-ol?
The IUPAC name of 3-(aminomethyl)-4,5-dimethylheptan-4-ol (CID 79134739) is 3-(aminomethyl)-4,5-dimethylheptan-4-ol.
What is the SMILES notation for 3-(aminomethyl)-4,5-dimethylheptan-4-ol?
The canonical SMILES for 3-(aminomethyl)-4,5-dimethylheptan-4-ol is CCC(C)C(C)(O)C(CC)CN.
What is the InChIKey of 3-(aminomethyl)-4,5-dimethylheptan-4-ol?
The InChIKey is TZQVHTAEWKTQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-8(3)10(4,12)9(6-2)7-11/h8-9,12H,5-7,11H2,1-4H3.
What are the key properties of 3-(aminomethyl)-4,5-dimethylheptan-4-ol?
3-(aminomethyl)-4,5-dimethylheptan-4-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,5-dimethylheptan-4-ol is sourced from PubChem (CID 79134739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).