N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine

C21H41N3 — CID 57038886

IUPACN,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine
SMILESC1CCC(NCCN(CNC2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C21H41N3/c1-4-10-19(11-5-1)22-16-17-24(21-14-8-3-9-15-21)18-23-20-12-6-2-7-13-20/h19-23H,1-18H2
InChIKeyZANKVKWDLVBPLG-UHFFFAOYSA-N
MW335.58 g/mol
LogP4.42
Rot. Bonds8

About N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine

N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine (PubChem CID 57038886) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine
PubChem CID57038886
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC NameN,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine
SMILESC1CCC(NCCN(CNC2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C21H41N3/c1-4-10-19(11-5-1)22-16-17-24(21-14-8-3-9-15-21)18-23-20-12-6-2-7-13-20/h19-23H,1-18H2
InChIKeyZANKVKWDLVBPLG-UHFFFAOYSA-N
XLogP4.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 15664413
trans-(1R,2R)-1-N,2-N-dicyclohexylcyclohexane-1,2-diamine
CID 59069810
1,1,3-Tricyclohexylthiourea
CID 3910253
1-N'-(2-aminocyclohexyl)cyclohexane-1,1-diamine
CID 19697101
N-[1-[4-[1-(cyclohexylamino)propyl]piperazin-1-yl]propyl]cyclohexanamine
CID 20203768
N'-cyclohexyl-N'-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 20277463
N-cyclohexylcyclohexanamine;N,N-dimethylcyclohexanamine
CID 20342506
2-N-(2-aminopropyl)-1-N,2-N-dicyclohexylpropane-1,2-diamine
CID 20381074
N'-[2-[cyclohexyl-[2-(cyclohexylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 20381106
1,1-Dicyclohexylimidazolidin-1-ium
CID 20503497
1-N,2-N-dicyclohexylcyclohexane-1,2-diamine
CID 21337653
1-N'-[(1R,2R)-2-aminocyclohexyl]cyclohexane-1,1-diamine
CID 22882853

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine (CID 57038886) is N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine is C1CCC(NCCN(CNC2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine?
The InChIKey is ZANKVKWDLVBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-4-10-19(11-5-1)22-16-17-24(21-14-8-3-9-15-21)18-23-20-12-6-2-7-13-20/h19-23H,1-18H2.
What are the key properties of N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine?
N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine has a molecular weight of 335.58 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-N'-[(cyclohexylamino)methyl]ethane-1,2-diamine is sourced from PubChem (CID 57038886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).