3,3-bis(4-aminocyclohexyl)propane-1,2-diamine

C15H32N4 — CID 70975749

IUPAC3,3-bis(4-aminocyclohexyl)propane-1,2-diamine
SMILESNCC(N)C(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C15H32N4/c16-9-14(19)15(10-1-5-12(17)6-2-10)11-3-7-13(18)8-4-11/h10-15H,1-9,16-19H2
InChIKeyXBQPWSYLBVHXFV-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.92
Rot. Bonds4

About 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine

3,3-bis(4-aminocyclohexyl)propane-1,2-diamine (PubChem CID 70975749) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine.

Molecular Properties

Compound Name3,3-bis(4-aminocyclohexyl)propane-1,2-diamine
PubChem CID70975749
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name3,3-bis(4-aminocyclohexyl)propane-1,2-diamine
SMILESNCC(N)C(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C15H32N4/c16-9-14(19)15(10-1-5-12(17)6-2-10)11-3-7-13(18)8-4-11/h10-15H,1-9,16-19H2
InChIKeyXBQPWSYLBVHXFV-UHFFFAOYSA-N
XLogP0.92
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine?
The IUPAC name of 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine (CID 70975749) is 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine.
What is the SMILES notation for 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine?
The canonical SMILES for 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine is NCC(N)C(C1CCC(N)CC1)C1CCC(N)CC1.
What is the InChIKey of 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine?
The InChIKey is XBQPWSYLBVHXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c16-9-14(19)15(10-1-5-12(17)6-2-10)11-3-7-13(18)8-4-11/h10-15H,1-9,16-19H2.
What are the key properties of 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine?
3,3-bis(4-aminocyclohexyl)propane-1,2-diamine has a molecular weight of 268.45 g/mol, XLogP of 0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-aminocyclohexyl)propane-1,2-diamine is sourced from PubChem (CID 70975749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).