(E)-2-(aminomethyl)undec-7-en-1-ol

C12H25NO — CID 145001245

IUPAC(E)-2-(aminomethyl)undec-7-en-1-ol
SMILESCCC/C=C/CCCCC(CN)CO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-12(10-13)11-14/h4-5,12,14H,2-3,6-11,13H2,1H3/b5-4+
InChIKeyVKHZZUCEIGSIQW-SNAWJCMRSA-N
MW199.34 g/mol
LogP2.47
Rot. Bonds9

About (E)-2-(aminomethyl)undec-7-en-1-ol

(E)-2-(aminomethyl)undec-7-en-1-ol (PubChem CID 145001245) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-2-(aminomethyl)undec-7-en-1-ol.

Molecular Properties

Compound Name(E)-2-(aminomethyl)undec-7-en-1-ol
PubChem CID145001245
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-2-(aminomethyl)undec-7-en-1-ol
SMILESCCC/C=C/CCCCC(CN)CO
InChIInChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-12(10-13)11-14/h4-5,12,14H,2-3,6-11,13H2,1H3/b5-4+
InChIKeyVKHZZUCEIGSIQW-SNAWJCMRSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-propyldec-7-en-1-ol
CID 23074704
11-ethyltetradec-4-ene
CID 123216279
dodec-8-ene-1,1-diol
CID 90860381
3-octadec-9-enylpentane-1,5-diol
CID 91381537
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995
(Z)-5-ethylundec-7-en-1-amine
CID 167138520
(2S,3R)-2-aminooctadec-14-en-3-ol
CID 171149144
(Z)-undec-7-en-1-ol
CID 93484782
(E)-hexadec-12-en-1-ol
CID 6431319
(E)-5,22-diethylhexacos-11-ene
CID 173194569
(E)-19-ethylhexacos-12-ene
CID 173194168

Frequently Asked Questions

What is the IUPAC name of (E)-2-(aminomethyl)undec-7-en-1-ol?
The IUPAC name of (E)-2-(aminomethyl)undec-7-en-1-ol (CID 145001245) is (E)-2-(aminomethyl)undec-7-en-1-ol.
What is the SMILES notation for (E)-2-(aminomethyl)undec-7-en-1-ol?
The canonical SMILES for (E)-2-(aminomethyl)undec-7-en-1-ol is CCC/C=C/CCCCC(CN)CO.
What is the InChIKey of (E)-2-(aminomethyl)undec-7-en-1-ol?
The InChIKey is VKHZZUCEIGSIQW-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-12(10-13)11-14/h4-5,12,14H,2-3,6-11,13H2,1H3/b5-4+.
What are the key properties of (E)-2-(aminomethyl)undec-7-en-1-ol?
(E)-2-(aminomethyl)undec-7-en-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(aminomethyl)undec-7-en-1-ol is sourced from PubChem (CID 145001245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).