4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine

C18H36N4 — CID 158561416

IUPAC4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCC(NC3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C18H36N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h13-18,21-22H,1-12,19-20H2
InChIKeyHQXXNLYAEBBWEP-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.02
Rot. Bonds4

About 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine

4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine (PubChem CID 158561416) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
PubChem CID158561416
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCC(NC3CCC(N)CC3)CC2)CC1
InChIInChI=1S/C18H36N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h13-18,21-22H,1-12,19-20H2
InChIKeyHQXXNLYAEBBWEP-UHFFFAOYSA-N
XLogP2.02
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3-(ethylamino)propyl)-1,4-cyclohexanediamine
CID 9817295
1-N,4-N-bis[4-(ethylamino)butyl]cyclohexane-1,4-diamine
CID 15407935
N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 15664413
N,N'-Dicyclohexylhexane-1,6-diamine
CID 83366
N1-(2-(4-(4-aminocyclohexyl)piperazin-1-yl)ethyl)cyclohexane-1,4-diamine
CID 165947578
Diethylenetriamine, 1,7-dicyclohexyl-
CID 23423562
trans-(1R,2R)-1-N,2-N-dicyclohexylcyclohexane-1,2-diamine
CID 59069810
Tricyclohexylammonium chloride
CID 129881485
1-N,4-N-bis(cyclohexylmethyl)cyclohexane-1,4-diamine
CID 78596
1-N,4-N-dicyclohexylcyclohexane-1,4-diamine
CID 116170
N-(4-Aminocyclohexyl)-1,4-cyclohexanediamine
CID 417227
N-methylcyclohexylammonium triiodide
CID 129690941

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine (CID 158561416) is 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine is NC1CCC(NC2CCC(NC3CCC(N)CC3)CC2)CC1.
What is the InChIKey of 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine?
The InChIKey is HQXXNLYAEBBWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h13-18,21-22H,1-12,19-20H2.
What are the key properties of 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine?
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine has a molecular weight of 308.51 g/mol, XLogP of 2.02, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 158561416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).