N,N',N'-tricyclohexylethane-1,2-diamine

C20H38N2 — CID 57312050

IUPACN,N',N'-tricyclohexylethane-1,2-diamine
SMILESC1CCC(NCCN(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H38N2/c1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h18-21H,1-17H2
InChIKeyRRKYFSZRSINYME-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.88
Rot. Bonds6

About N,N',N'-tricyclohexylethane-1,2-diamine

N,N',N'-tricyclohexylethane-1,2-diamine (PubChem CID 57312050) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N,N',N'-tricyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN,N',N'-tricyclohexylethane-1,2-diamine
PubChem CID57312050
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN,N',N'-tricyclohexylethane-1,2-diamine
SMILESC1CCC(NCCN(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C20H38N2/c1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h18-21H,1-17H2
InChIKeyRRKYFSZRSINYME-UHFFFAOYSA-N
XLogP4.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-Dicyclohexyl-1,2-ethanediamine
CID 273886
N-cyclohexyl-N',N'-bis[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 15664413
N~1~,N~1~,N~2~,N~2~-Tetracyclohexylethane-1,2-diamine--hydrogen bromide--hydrogen chloride (1/1/1)
CID 58362
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-dicyclohexylcyclohexane-1,4-diamine
CID 116170
1-N,2-N-dicyclohexylpropane-1,2-diamine
CID 22765259
trans-(1R,2R)-2-N-cyclohexylcyclohexane-1,2-diamine
CID 46176571
N-butylcyclohexylammonium triiodide
CID 129690944

Frequently Asked Questions

What is the IUPAC name of N,N',N'-tricyclohexylethane-1,2-diamine?
The IUPAC name of N,N',N'-tricyclohexylethane-1,2-diamine (CID 57312050) is N,N',N'-tricyclohexylethane-1,2-diamine.
What is the SMILES notation for N,N',N'-tricyclohexylethane-1,2-diamine?
The canonical SMILES for N,N',N'-tricyclohexylethane-1,2-diamine is C1CCC(NCCN(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N,N',N'-tricyclohexylethane-1,2-diamine?
The InChIKey is RRKYFSZRSINYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-4-10-18(11-5-1)21-16-17-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h18-21H,1-17H2.
What are the key properties of N,N',N'-tricyclohexylethane-1,2-diamine?
N,N',N'-tricyclohexylethane-1,2-diamine has a molecular weight of 306.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tricyclohexylethane-1,2-diamine is sourced from PubChem (CID 57312050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).