1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol

C18H27NO — CID 154840849

IUPAC1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCC(Cc3ccccc3)C2)CCCC1
InChIInChI=1S/C18H27NO/c20-18(10-4-5-11-18)14-19-17-9-8-16(13-17)12-15-6-2-1-3-7-15/h1-3,6-7,16-17,19-20H,4-5,8-14H2
InChIKeyLCZVCVZQEJOHSN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.29
Rot. Bonds5

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

1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol (PubChem CID 154840849) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol
PubChem CID154840849
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCC(Cc3ccccc3)C2)CCCC1
InChIInChI=1S/C18H27NO/c20-18(10-4-5-11-18)14-19-17-9-8-16(13-17)12-15-6-2-1-3-7-15/h1-3,6-7,16-17,19-20H,4-5,8-14H2
InChIKeyLCZVCVZQEJOHSN-UHFFFAOYSA-N
XLogP3.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-{[1-methyl-2-(4-methylphenyl)ethyl]amino}-1-pentanol
CID 45930411
trans-(1R,2S)-2-(cyclopentylmethylamino)-1-(2-phenylethynyl)cyclohexan-1-ol
CID 138391916
Methyl benzyl pyrrolidin-2-yl methanol
CID 13068803
2-Methyl-6-[(1-methyl-3-phenylpropyl)amino]-2-heptanol
CID 45932637
3-Cyclopropyl-2-[(3-phenylcyclopentyl)amino]propan-1-ol
CID 154744126
4-(4-Fluorophenyl)-2-methyl-3-(propan-2-ylamino)butan-2-ol
CID 177955315
1-[[1-(4-Fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 55152835
1-[[1-(4-Fluorophenyl)propan-2-ylamino]methyl]cycloheptan-1-ol
CID 60970219
1-[[[3-(4-Fluorophenyl)cyclobutyl]amino]methyl]cyclohexan-1-ol
CID 64060491
1-[[[3-(2-Fluorophenyl)cyclobutyl]amino]methyl]cyclohexan-1-ol
CID 64060688
1-[[[3-(3-Fluorophenyl)cyclobutyl]amino]methyl]cyclohexan-1-ol
CID 64060891
1-[[[3-(2-Fluorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105161

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol (CID 154840849) is 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol is OC1(CNC2CCC(Cc3ccccc3)C2)CCCC1.
What is the InChIKey of 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is LCZVCVZQEJOHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-18(10-4-5-11-18)14-19-17-9-8-16(13-17)12-15-6-2-1-3-7-15/h1-3,6-7,16-17,19-20H,4-5,8-14H2.
What are the key properties of 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol?
1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 154840849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).