2-(aminomethyl)-3-butylheptan-1-ol

C12H27NO — CID 102387599

IUPAC2-(aminomethyl)-3-butylheptan-1-ol
SMILESCCCCC(CCCC)C(CN)CO
InChIInChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)12(9-13)10-14/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDKYZQSPEZKYJOR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.55
Rot. Bonds9

About 2-(aminomethyl)-3-butylheptan-1-ol

2-(aminomethyl)-3-butylheptan-1-ol (PubChem CID 102387599) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-butylheptan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-butylheptan-1-ol
PubChem CID102387599
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(aminomethyl)-3-butylheptan-1-ol
SMILESCCCCC(CCCC)C(CN)CO
InChIInChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)12(9-13)10-14/h11-12,14H,3-10,13H2,1-2H3
InChIKeyDKYZQSPEZKYJOR-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-3-butylheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(Aminomethyl)-5-methylcyclohexyl]methan-1-ol
CID 3107848
3-Amino-3-cyclohexylpropan-1-ol
CID 17039367
2-Amino-1-cycloundecyl-ethanol
CID 44272314
3-Amino-2-cyclohexylpropan-1-ol
CID 15056419
4-Amino-2-cyclohexylbutan-2-ol
CID 20481707
(4-(2-Aminoethyl)cyclohexyl)methanol
CID 22236240
3-Amino-2-cyclopentylpropan-1-ol
CID 79420807
2-(Aminomethyl)-3-methylpentan-1-ol
CID 79423352
(2-Aminocycloheptyl)methanol
CID 5014553
3-Amino-2-(cyclopentylmethyl)propan-1-ol
CID 62314330
3-Amino-3-cycloheptylpropan-1-ol
CID 65908661
(2-Aminocycloheptyl)methanol hydrochloride
CID 71755910

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-butylheptan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-butylheptan-1-ol (CID 102387599) is 2-(aminomethyl)-3-butylheptan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-butylheptan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-butylheptan-1-ol is CCCCC(CCCC)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-3-butylheptan-1-ol?
The InChIKey is DKYZQSPEZKYJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-7-11(8-6-4-2)12(9-13)10-14/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-butylheptan-1-ol?
2-(aminomethyl)-3-butylheptan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-butylheptan-1-ol is sourced from PubChem (CID 102387599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).