4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine

C18H36N4 — CID 146391384

IUPAC4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N(C2CCC(N)CC2)C2CCC(N)CC2)CC1
InChIInChI=1S/C18H36N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h13-18H,1-12,19-21H2
InChIKeyXTHHQOQCIWEHPY-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.10
Rot. Bonds3

About 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine

4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine (PubChem CID 146391384) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine
PubChem CID146391384
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N(C2CCC(N)CC2)C2CCC(N)CC2)CC1
InChIInChI=1S/C18H36N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h13-18H,1-12,19-21H2
InChIKeyXTHHQOQCIWEHPY-UHFFFAOYSA-N
XLogP2.10
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine (CID 146391384) is 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine is NC1CCC(N(C2CCC(N)CC2)C2CCC(N)CC2)CC1.
What is the InChIKey of 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is XTHHQOQCIWEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h13-18H,1-12,19-21H2.
What are the key properties of 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine?
4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine has a molecular weight of 308.51 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(4-aminocyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 146391384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).