N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C18H22N2 — CID 102773421

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCc1ccc(C(C)NC2CCc3cccnc32)c(C)c1
InChIInChI=1S/C18H22N2/c1-12-6-8-16(13(2)11-12)14(3)20-17-9-7-15-5-4-10-19-18(15)17/h4-6,8,10-11,14,17,20H,7,9H2,1-3H3
InChIKeyKUBBIBMNSSJNRX-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.04
Rot. Bonds3

About N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102773421) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102773421
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESCc1ccc(C(C)NC2CCc3cccnc32)c(C)c1
InChIInChI=1S/C18H22N2/c1-12-6-8-16(13(2)11-12)14(3)20-17-9-7-15-5-4-10-19-18(15)17/h4-6,8,10-11,14,17,20H,7,9H2,1-3H3
InChIKeyKUBBIBMNSSJNRX-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774056
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774076
N-[(1S)-1-(3-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774047
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079622
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-3-methylbutan-1-ol
CID 102773952
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774037
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 106282023
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774050
N-[1-(2-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078990
N-[(1S)-1-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81377678

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102773421) is N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is Cc1ccc(C(C)NC2CCc3cccnc32)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is KUBBIBMNSSJNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-12-6-8-16(13(2)11-12)14(3)20-17-9-7-15-5-4-10-19-18(15)17/h4-6,8,10-11,14,17,20H,7,9H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 266.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102773421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).