2-(aminomethyl)-2-octyldecan-1-ol

C19H41NO — CID 102474353

IUPAC2-(aminomethyl)-2-octyldecan-1-ol
SMILESCCCCCCCCC(CN)(CO)CCCCCCCC
InChIInChI=1S/C19H41NO/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h21H,3-18,20H2,1-2H3
InChIKeyRFMDSAZPHXCVPM-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.43
Rot. Bonds16

About 2-(aminomethyl)-2-octyldecan-1-ol

2-(aminomethyl)-2-octyldecan-1-ol (PubChem CID 102474353) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 2-(aminomethyl)-2-octyldecan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-octyldecan-1-ol
PubChem CID102474353
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name2-(aminomethyl)-2-octyldecan-1-ol
SMILESCCCCCCCCC(CN)(CO)CCCCCCCC
InChIInChI=1S/C19H41NO/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h21H,3-18,20H2,1-2H3
InChIKeyRFMDSAZPHXCVPM-UHFFFAOYSA-N
XLogP5.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.43
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

(1-(Aminomethyl)cycloheptyl)methanol
CID 23120751
[1-(Aminomethyl)cyclohexyl]methanol hydrochloride
CID 67800019
[1-(Aminomethyl)-4,4-dimethylcyclohexyl]methanol
CID 79124978
2-(Aminomethyl)-2-hexyloctan-1-ol
CID 11615677
2-Aminomethyl-2-butylhexane-1-ol
CID 11658412
2-Aminomethyl-2-propylpentane-1-ol
CID 23120774
2-Aminomethyl-2-pentylheptan-1-ol
CID 102474350
(1-(Aminomethyl)cyclohexyl)methanol
CID 22379486
2-(1-Amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol
CID 123397412
2-(Aminomethyl)-3-butylheptan-1-ol
CID 102387599
2-(Aminomethyl)-2-hexadecyloctadecan-1-ol
CID 11649364
2,2-Dimethyl-11-isopropyl-11-aminoundecanol
CID 12941761

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-octyldecan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-octyldecan-1-ol (CID 102474353) is 2-(aminomethyl)-2-octyldecan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-octyldecan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-octyldecan-1-ol is CCCCCCCCC(CN)(CO)CCCCCCCC.
What is the InChIKey of 2-(aminomethyl)-2-octyldecan-1-ol?
The InChIKey is RFMDSAZPHXCVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-3-5-7-9-11-13-15-19(17-20,18-21)16-14-12-10-8-6-4-2/h21H,3-18,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-octyldecan-1-ol?
2-(aminomethyl)-2-octyldecan-1-ol has a molecular weight of 299.54 g/mol, XLogP of 5.43, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-octyldecan-1-ol is sourced from PubChem (CID 102474353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).