2-(aminomethyl)-2-pentylheptan-1-ol

C13H29NO — CID 102474350

IUPAC2-(aminomethyl)-2-pentylheptan-1-ol
SMILESCCCCCC(CN)(CO)CCCCC
InChIInChI=1S/C13H29NO/c1-3-5-7-9-13(11-14,12-15)10-8-6-4-2/h15H,3-12,14H2,1-2H3
InChIKeyPYXHFYJZQSVODQ-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.08
Rot. Bonds10

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

2-(aminomethyl)-2-pentylheptan-1-ol (PubChem CID 102474350) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(aminomethyl)-2-pentylheptan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-pentylheptan-1-ol
PubChem CID102474350
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(aminomethyl)-2-pentylheptan-1-ol
SMILESCCCCCC(CN)(CO)CCCCC
InChIInChI=1S/C13H29NO/c1-3-5-7-9-13(11-14,12-15)10-8-6-4-2/h15H,3-12,14H2,1-2H3
InChIKeyPYXHFYJZQSVODQ-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.08
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-(1-Amino-2-methylpropyl)cyclopentyl]methanol
CID 121552833
(1-(Aminomethyl)cycloheptyl)methanol
CID 23120751
2-(Aminomethyl)-2-methylcyclohexan-1-ol
CID 59871611
[1-(Aminomethyl)cyclohexyl]methanol hydrochloride
CID 67800019
[1-(Aminomethyl)-4,4-dimethylcyclohexyl]methanol
CID 79124978
3-Amino-2-(cyclopentylmethyl)propan-1-ol
CID 62314330
(2-(Aminomethyl)spiro(3.3)heptan-2-yl)methanol
CID 65009546
[1-(Aminomethyl)-4-methylcyclohexyl]methanol
CID 65653068
1-[1-(Methoxymethyl)cycloheptyl]methanamine
CID 83905890
3-[1-(Aminomethyl)cyclopentyl]propan-1-ol
CID 130514668
2-(Aminomethyl)-2-hexyloctan-1-ol
CID 11615677
2-Aminomethyl-2-butylhexane-1-ol
CID 11658412

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-pentylheptan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-pentylheptan-1-ol (CID 102474350) is 2-(aminomethyl)-2-pentylheptan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-pentylheptan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-pentylheptan-1-ol is CCCCCC(CN)(CO)CCCCC.
What is the InChIKey of 2-(aminomethyl)-2-pentylheptan-1-ol?
The InChIKey is PYXHFYJZQSVODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-5-7-9-13(11-14,12-15)10-8-6-4-2/h15H,3-12,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-pentylheptan-1-ol?
2-(aminomethyl)-2-pentylheptan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-pentylheptan-1-ol is sourced from PubChem (CID 102474350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).