N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine

C21H38N2 — CID 132988382

IUPACN-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine
SMILESC1CCC(=C2CCCCC2NCCCNC2CCCCC2)CC1
InChIInChI=1S/C21H38N2/c1-3-10-18(11-4-1)20-14-7-8-15-21(20)23-17-9-16-22-19-12-5-2-6-13-19/h19,21-23H,1-17H2
InChIKeyNIWOIGCKRQIPRE-UHFFFAOYSA-N
MW318.55 g/mol
LogP5.09
Rot. Bonds6

About N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine

N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine (PubChem CID 132988382) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine
PubChem CID132988382
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC NameN-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine
SMILESC1CCC(=C2CCCCC2NCCCNC2CCCCC2)CC1
InChIInChI=1S/C21H38N2/c1-3-10-18(11-4-1)20-14-7-8-15-21(20)23-17-9-16-22-19-12-5-2-6-13-19/h19,21-23H,1-17H2
InChIKeyNIWOIGCKRQIPRE-UHFFFAOYSA-N
XLogP5.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 3029604
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6-N-[3-[(6-aminocyclodecyl)amino]propyl]cyclodecane-1,6-diamine
CID 100984635
N'-cyclohexyl-N-[[4-[4-[[3-(cyclohexylamino)propylamino]methyl]phenyl]phenyl]methyl]propane-1,3-diamine
CID 171352452
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4-(cyclohexylamino)butanal
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N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-dodecylcyclohexanamine
CID 3679395
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclohexyl-N-[2-(2-piperidin-1-ylethylamino)ethyl]propane-1,3-diamine
CID 143268114

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine?
The IUPAC name of N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine (CID 132988382) is N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine?
The canonical SMILES for N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine is C1CCC(=C2CCCCC2NCCCNC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine?
The InChIKey is NIWOIGCKRQIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2/c1-3-10-18(11-4-1)20-14-7-8-15-21(20)23-17-9-16-22-19-12-5-2-6-13-19/h19,21-23H,1-17H2.
What are the key properties of N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine?
N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine has a molecular weight of 318.55 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-(2-cyclohexylidenecyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 132988382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).