1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine

C19H38N4 — CID 20501199

IUPAC1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(CC2CC(N)CCC2NC2CCC(N)CC2)CC1
InChIInChI=1S/C19H38N4/c20-15-3-1-13(2-4-15)11-14-12-17(22)7-10-19(14)23-18-8-5-16(21)6-9-18/h13-19,23H,1-12,20-22H2
InChIKeyUEOWLDHNKYSGAZ-UHFFFAOYSA-N
MW322.54 g/mol
LogP2.25
Rot. Bonds4

About 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine

1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine (PubChem CID 20501199) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine
PubChem CID20501199
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC Name1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine
SMILESNC1CCC(CC2CC(N)CCC2NC2CCC(N)CC2)CC1
InChIInChI=1S/C19H38N4/c20-15-3-1-13(2-4-15)11-14-12-17(22)7-10-19(14)23-18-8-5-16(21)6-9-18/h13-19,23H,1-12,20-22H2
InChIKeyUEOWLDHNKYSGAZ-UHFFFAOYSA-N
XLogP2.25
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine (CID 20501199) is 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine is NC1CCC(CC2CC(N)CCC2NC2CCC(N)CC2)CC1.
What is the InChIKey of 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is UEOWLDHNKYSGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4/c20-15-3-1-13(2-4-15)11-14-12-17(22)7-10-19(14)23-18-8-5-16(21)6-9-18/h13-19,23H,1-12,20-22H2.
What are the key properties of 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine?
1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 322.54 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-aminocyclohexyl)-2-[(4-aminocyclohexyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 20501199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).