N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine

C22H43N3 — CID 142421184

IUPACN'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine
SMILESC1CCC(NCCNCCN(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C22H43N3/c1-4-10-20(11-5-1)24-17-16-23-18-19-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h20-24H,1-19H2
InChIKeyOAUJWFWIEJLINE-UHFFFAOYSA-N
MW349.61 g/mol
LogP4.47
Rot. Bonds9

About N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine

N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine (PubChem CID 142421184) has the molecular formula C22H43N3 and a molecular weight of 349.61 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine
PubChem CID142421184
Molecular FormulaC22H43N3
Molecular Weight349.61 g/mol
Exact Mass349.35
IUPAC NameN'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine
SMILESC1CCC(NCCNCCN(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C22H43N3/c1-4-10-20(11-5-1)24-17-16-23-18-19-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h20-24H,1-19H2
InChIKeyOAUJWFWIEJLINE-UHFFFAOYSA-N
XLogP4.47
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dicyclohexyl-N-cyclopentylethane-1,2-diamine
CID 60851932
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
N'-cyclopentyl-N-ethylethane-1,2-diamine
CID 61150069
N'-cyclohexyl-N-decylethane-1,2-diamine
CID 163569737
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine;N-[2-(4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 159997450
N'-cycloundecylethane-1,2-diamine
CID 166845791
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine (CID 142421184) is N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine is C1CCC(NCCNCCN(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine?
The InChIKey is OAUJWFWIEJLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N3/c1-4-10-20(11-5-1)24-17-16-23-18-19-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h20-24H,1-19H2.
What are the key properties of N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine?
N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine has a molecular weight of 349.61 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(dicyclohexylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 142421184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).