1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine

C15H22N2 — CID 175562301

IUPAC1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H22N2/c16-14-6-8-15(17,9-7-14)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14H,1-3,6-9,16-17H2
InChIKeyGJBVTAKQJYMWLG-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.23
Rot. Bonds1

About 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine

1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine (PubChem CID 175562301) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine
PubChem CID175562301
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine
SMILESNC1CCC(N)(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C15H22N2/c16-14-6-8-15(17,9-7-14)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14H,1-3,6-9,16-17H2
InChIKeyGJBVTAKQJYMWLG-UHFFFAOYSA-N
XLogP2.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine (CID 175562301) is 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine is NC1CCC(N)(c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine?
The InChIKey is GJBVTAKQJYMWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c16-14-6-8-15(17,9-7-14)13-5-4-11-2-1-3-12(11)10-13/h4-5,10,14H,1-3,6-9,16-17H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine?
1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 175562301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).