3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol

C13H27NO — CID 115714750

IUPAC3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol
SMILESCCC1CCCC1NCC(O)(CC)CC
InChIInChI=1S/C13H27NO/c1-4-11-8-7-9-12(11)14-10-13(15,5-2)6-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyCHUKKDWIVQCVGC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol

3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol (PubChem CID 115714750) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol
PubChem CID115714750
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol
SMILESCCC1CCCC1NCC(O)(CC)CC
InChIInChI=1S/C13H27NO/c1-4-11-8-7-9-12(11)14-10-13(15,5-2)6-3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyCHUKKDWIVQCVGC-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]pentan-3-ol
CID 106360920
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol
CID 81412753
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine
CID 115726067
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 106289421
1-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutan-2-ol
CID 106361004
2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine
CID 103522734
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
1-[(2-butylcyclopentyl)amino]-2-methylbutan-2-ol
CID 115718135
2-[(2-ethylcyclopentyl)amino]cyclopentan-1-ol
CID 130639368
2-ethyl-N-(3-methylpentan-3-yl)cyclohexan-1-amine
CID 106328263

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol (CID 115714750) is 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol is CCC1CCCC1NCC(O)(CC)CC.
What is the InChIKey of 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol?
The InChIKey is CHUKKDWIVQCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11-8-7-9-12(11)14-10-13(15,5-2)6-3/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol?
3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethylcyclopentyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 115714750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).