3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol

C15H29NO — CID 114146190

IUPAC3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
SMILESCCC1CCCC(NCC2CCC(O)C2)CC1
InChIInChI=1S/C15H29NO/c1-2-12-4-3-5-14(8-6-12)16-11-13-7-9-15(17)10-13/h12-17H,2-11H2,1H3
InChIKeyJPWWFPXYGHFZDV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds4

About 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol

3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol (PubChem CID 114146190) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
PubChem CID114146190
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
SMILESCCC1CCCC(NCC2CCC(O)C2)CC1
InChIInChI=1S/C15H29NO/c1-2-12-4-3-5-14(8-6-12)16-11-13-7-9-15(17)10-13/h12-17H,2-11H2,1H3
InChIKeyJPWWFPXYGHFZDV-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
CID 106594762
3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 104844751
3-[[(1-propylazepan-4-yl)amino]methyl]cyclopentan-1-ol
CID 106120879
3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 115654559
3-[[(3-methylsulfonylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 114147362
3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
3-[[(1-propan-2-ylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106124034
3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 113263610
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol (CID 114146190) is 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol is CCC1CCCC(NCC2CCC(O)C2)CC1.
What is the InChIKey of 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is JPWWFPXYGHFZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-12-4-3-5-14(8-6-12)16-11-13-7-9-15(17)10-13/h12-17H,2-11H2,1H3.
What are the key properties of 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol?
3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114146190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).