3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine

C15H23N3 — CID 113365122

IUPAC3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CCC(NC2CC(N)c3ccccc32)CC1
InChIInChI=1S/C15H23N3/c16-10-5-7-11(8-6-10)18-15-9-14(17)12-3-1-2-4-13(12)15/h1-4,10-11,14-15,18H,5-9,16-17H2
InChIKeyBIWBCXLRUHKBDH-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.99
Rot. Bonds2

About 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine

3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 113365122) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID113365122
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CCC(NC2CC(N)c3ccccc32)CC1
InChIInChI=1S/C15H23N3/c16-10-5-7-11(8-6-10)18-15-9-14(17)12-3-1-2-4-13(12)15/h1-4,10-11,14-15,18H,5-9,16-17H2
InChIKeyBIWBCXLRUHKBDH-UHFFFAOYSA-N
XLogP1.99
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine (CID 113365122) is 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine is NC1CCC(NC2CC(N)c3ccccc32)CC1.
What is the InChIKey of 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is BIWBCXLRUHKBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-10-5-7-11(8-6-10)18-15-9-14(17)12-3-1-2-4-13(12)15/h1-4,10-11,14-15,18H,5-9,16-17H2.
What are the key properties of 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine?
3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 245.37 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 113365122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).