2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile

C18H24N2 — CID 115532068

IUPAC2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile
SMILESCC1(C)CCc2ccccc2C1NC1CCCC1C#N
InChIInChI=1S/C18H24N2/c1-18(2)11-10-13-6-3-4-8-15(13)17(18)20-16-9-5-7-14(16)12-19/h3-4,6,8,14,16-17,20H,5,7,9-11H2,1-2H3
InChIKeyDQSQTCJXZOEAFV-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.98
Rot. Bonds2

About 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile

2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile (PubChem CID 115532068) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile
PubChem CID115532068
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile
SMILESCC1(C)CCc2ccccc2C1NC1CCCC1C#N
InChIInChI=1S/C18H24N2/c1-18(2)11-10-13-6-3-4-8-15(13)17(18)20-16-9-5-7-14(16)12-19/h3-4,6,8,14,16-17,20H,5,7,9-11H2,1-2H3
InChIKeyDQSQTCJXZOEAFV-UHFFFAOYSA-N
XLogP3.98
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxolan-3-amine
CID 82726246
4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
CID 115532055
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 114544136
N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532119
N-(4-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532012
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanenitrile
CID 113329799
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628980
[2-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]cyclopentyl]methanol
CID 106359573
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine
CID 103931801
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
CID 66397152
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329802

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile (CID 115532068) is 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile is CC1(C)CCc2ccccc2C1NC1CCCC1C#N.
What is the InChIKey of 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile?
The InChIKey is DQSQTCJXZOEAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2)11-10-13-6-3-4-8-15(13)17(18)20-16-9-5-7-14(16)12-19/h3-4,6,8,14,16-17,20H,5,7,9-11H2,1-2H3.
What are the key properties of 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile?
2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile has a molecular weight of 268.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 115532068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).