2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol

C15H23NO — CID 79564547

IUPAC2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
SMILESCc1cccc(N(C)CCC2CCCC2O)c1
InChIInChI=1S/C15H23NO/c1-12-5-3-7-14(11-12)16(2)10-9-13-6-4-8-15(13)17/h3,5,7,11,13,15,17H,4,6,8-10H2,1-2H3
InChIKeyKYYRNWGUZUCWQN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol

2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol (PubChem CID 79564547) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
PubChem CID79564547
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
SMILESCc1cccc(N(C)CCC2CCCC2O)c1
InChIInChI=1S/C15H23NO/c1-12-5-3-7-14(11-12)16(2)10-9-13-6-4-8-15(13)17/h3,5,7,11,13,15,17H,4,6,8-10H2,1-2H3
InChIKeyKYYRNWGUZUCWQN-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(N,3-dimethylanilino)methyl]cyclopentan-1-ol
CID 62610095
1-amino-2-[2-(N,3-dimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 79564155
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-one
CID 79570431
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
CID 62616722
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-[2-(2-aminocyclopentyl)ethyl]-N,3,5-trimethylaniline
CID 79565816
[2-[2-(N,3-dimethylanilino)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79571424
N-(2-iodoethyl)-N,3-dimethylaniline
CID 130693336
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163
2-[(3-methylphenoxy)methyl]cyclohexan-1-ol
CID 58097648

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol (CID 79564547) is 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol is Cc1cccc(N(C)CCC2CCCC2O)c1.
What is the InChIKey of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol?
The InChIKey is KYYRNWGUZUCWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-3-7-14(11-12)16(2)10-9-13-6-4-8-15(13)17/h3,5,7,11,13,15,17H,4,6,8-10H2,1-2H3.
What are the key properties of 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol?
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).