4-amino-3-cycloheptyl-4-methylpentan-1-ol

C13H27NO — CID 66092371

IUPAC4-amino-3-cycloheptyl-4-methylpentan-1-ol
SMILESCC(C)(N)C(CCO)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,14)12(9-10-15)11-7-5-3-4-6-8-11/h11-12,15H,3-10,14H2,1-2H3
InChIKeyQLFIPTKZHAYRNG-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.69
Rot. Bonds4

About 4-amino-3-cycloheptyl-4-methylpentan-1-ol

4-amino-3-cycloheptyl-4-methylpentan-1-ol (PubChem CID 66092371) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-amino-3-cycloheptyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-3-cycloheptyl-4-methylpentan-1-ol
PubChem CID66092371
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-amino-3-cycloheptyl-4-methylpentan-1-ol
SMILESCC(C)(N)C(CCO)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,14)12(9-10-15)11-7-5-3-4-6-8-11/h11-12,15H,3-10,14H2,1-2H3
InChIKeyQLFIPTKZHAYRNG-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-2-methylpentan-2-amine
CID 137411422
methyl 4-amino-3-cyclooctyl-4-methylpentanoate
CID 114207967
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
3-(1-cyclohexylethylamino)-4,4-dimethylpentan-1-ol
CID 113438636
4-cyclohexyl-4-cyclopropyl-3-methylbutan-1-ol
CID 170161070
(1-chloro-3,3-dimethylbutan-2-yl)cycloheptane
CID 83142657
(4S)-4-amino-4-cyclohexylbutan-1-ol
CID 102516079
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723
(3R)-4-amino-3,4-dimethylpentan-1-ol
CID 97030968
3-cyclohexyl-3-(cyclopropylamino)propan-1-ol
CID 83818925
4,4-dimethylhexan-3-ylcyclohexane;methane
CID 170707005
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cycloheptyl-4-methylpentan-1-ol?
The IUPAC name of 4-amino-3-cycloheptyl-4-methylpentan-1-ol (CID 66092371) is 4-amino-3-cycloheptyl-4-methylpentan-1-ol.
What is the SMILES notation for 4-amino-3-cycloheptyl-4-methylpentan-1-ol?
The canonical SMILES for 4-amino-3-cycloheptyl-4-methylpentan-1-ol is CC(C)(N)C(CCO)C1CCCCCC1.
What is the InChIKey of 4-amino-3-cycloheptyl-4-methylpentan-1-ol?
The InChIKey is QLFIPTKZHAYRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,14)12(9-10-15)11-7-5-3-4-6-8-11/h11-12,15H,3-10,14H2,1-2H3.
What are the key properties of 4-amino-3-cycloheptyl-4-methylpentan-1-ol?
4-amino-3-cycloheptyl-4-methylpentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cycloheptyl-4-methylpentan-1-ol is sourced from PubChem (CID 66092371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).