3-(aminomethyl)-3-methylnonan-4-ol

C11H25NO — CID 79137941

IUPAC3-(aminomethyl)-3-methylnonan-4-ol
SMILESCCCCCC(O)C(C)(CC)CN
InChIInChI=1S/C11H25NO/c1-4-6-7-8-10(13)11(3,5-2)9-12/h10,13H,4-9,12H2,1-3H3
InChIKeyUKQXKGMHVWNXET-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.30
Rot. Bonds7

About 3-(aminomethyl)-3-methylnonan-4-ol

3-(aminomethyl)-3-methylnonan-4-ol (PubChem CID 79137941) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methylnonan-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-methylnonan-4-ol
PubChem CID79137941
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-(aminomethyl)-3-methylnonan-4-ol
SMILESCCCCCC(O)C(C)(CC)CN
InChIInChI=1S/C11H25NO/c1-4-6-7-8-10(13)11(3,5-2)9-12/h10,13H,4-9,12H2,1-3H3
InChIKeyUKQXKGMHVWNXET-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-3-methylundecan-4-ol
CID 79137732
3-methyldodecane-3,4-diol
CID 103448703
2-methyldodecane-2,3-diol
CID 90439854
2-methylheptadecane-2,3-diol
CID 90439823
3-ethyl-3,8,8-trimethylnonan-4-ol
CID 156689455
3,3-diethyldecan-4-ol
CID 150278197
3-aminohenicosane-3,4-diol
CID 87769820
3-(diethylamino)-3-methylundecan-4-ol
CID 79064620
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
6-ethyl-6,9-dimethyldec-8-en-5-ol
CID 118389079
2-(diethylamino)-2-methyldecan-3-ol
CID 79053549
3-methoxy-3-methylnonan-4-ol
CID 116751924

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methylnonan-4-ol?
The IUPAC name of 3-(aminomethyl)-3-methylnonan-4-ol (CID 79137941) is 3-(aminomethyl)-3-methylnonan-4-ol.
What is the SMILES notation for 3-(aminomethyl)-3-methylnonan-4-ol?
The canonical SMILES for 3-(aminomethyl)-3-methylnonan-4-ol is CCCCCC(O)C(C)(CC)CN.
What is the InChIKey of 3-(aminomethyl)-3-methylnonan-4-ol?
The InChIKey is UKQXKGMHVWNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-7-8-10(13)11(3,5-2)9-12/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-methylnonan-4-ol?
3-(aminomethyl)-3-methylnonan-4-ol has a molecular weight of 187.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methylnonan-4-ol is sourced from PubChem (CID 79137941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).