3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol

C17H33NO — CID 106124372

IUPAC3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
SMILESCCCC1CCCC(NCC2CCCC(O)C2)CC1
InChIInChI=1S/C17H33NO/c1-2-5-14-6-3-8-16(11-10-14)18-13-15-7-4-9-17(19)12-15/h14-19H,2-13H2,1H3
InChIKeyXVXKXJALJAUFJU-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.88
Rot. Bonds5

About 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol

3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106124372) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
PubChem CID106124372
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
SMILESCCCC1CCCC(NCC2CCCC(O)C2)CC1
InChIInChI=1S/C17H33NO/c1-2-5-14-6-3-8-16(11-10-14)18-13-15-7-4-9-17(19)12-15/h14-19H,2-13H2,1H3
InChIKeyXVXKXJALJAUFJU-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091165
3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 104844751
N-[(3-propylcyclobutyl)methyl]cyclopentanamine
CID 97034535
4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
N-[(1-ethylpiperidin-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091371
N-(oxolan-3-ylmethyl)-4-propylcycloheptan-1-amine
CID 65091062
3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 115654559
4-propylcycloheptan-1-ol
CID 15687798
N-[(2-methylcyclopentyl)methyl]-4-propylcyclohexan-1-amine
CID 107417481
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol (CID 106124372) is 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol is CCCC1CCCC(NCC2CCCC(O)C2)CC1.
What is the InChIKey of 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XVXKXJALJAUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-2-5-14-6-3-8-16(11-10-14)18-13-15-7-4-9-17(19)12-15/h14-19H,2-13H2,1H3.
What are the key properties of 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol?
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106124372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).