1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine

C15H22N2 — CID 115117098

IUPAC1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2/c16-14-6-3-7-15(14)17-13-9-8-11-4-1-2-5-12(11)10-13/h8-10,14-15,17H,1-7,16H2
InChIKeyPWEVJBBDKASDNC-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.86
Rot. Bonds2

About 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine

1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine (PubChem CID 115117098) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
PubChem CID115117098
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine
SMILESNC1CCCC1Nc1ccc2c(c1)CCCC2
InChIInChI=1S/C15H22N2/c16-14-6-3-7-15(14)17-13-9-8-11-4-1-2-5-12(11)10-13/h8-10,14-15,17H,1-7,16H2
InChIKeyPWEVJBBDKASDNC-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine (CID 115117098) is 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine is NC1CCCC1Nc1ccc2c(c1)CCCC2.
What is the InChIKey of 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine?
The InChIKey is PWEVJBBDKASDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-14-6-3-7-15(14)17-13-9-8-11-4-1-2-5-12(11)10-13/h8-10,14-15,17H,1-7,16H2.
What are the key properties of 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine?
1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1,2-diamine is sourced from PubChem (CID 115117098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).