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

C24H48N4 — CID 67932845

IUPAC1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine
SMILESCC(NC1CCCCC1)N(CCNC1CCCCC1)C(C)NC1CCCCC1
InChIInChI=1S/C24H48N4/c1-20(26-23-14-8-4-9-15-23)28(19-18-25-22-12-6-3-7-13-22)21(2)27-24-16-10-5-11-17-24/h20-27H,3-19H2,1-2H3
InChIKeyNVJDVNPKBSBQKU-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.75
Rot. Bonds10

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

1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine (PubChem CID 67932845) has the molecular formula C24H48N4 and a molecular weight of 392.68 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine
PubChem CID67932845
Molecular FormulaC24H48N4
Molecular Weight392.68 g/mol
Exact Mass392.39
IUPAC Name1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine
SMILESCC(NC1CCCCC1)N(CCNC1CCCCC1)C(C)NC1CCCCC1
InChIInChI=1S/C24H48N4/c1-20(26-23-14-8-4-9-15-23)28(19-18-25-22-12-6-3-7-13-22)21(2)27-24-16-10-5-11-17-24/h20-27H,3-19H2,1-2H3
InChIKeyNVJDVNPKBSBQKU-UHFFFAOYSA-N
XLogP4.75
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine with MolForge

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Related Compounds

N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclohexyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62575849
N-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62575675
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
N-cyclopentyl-N'-(1-cyclopropylethyl)-N'-methylethane-1,2-diamine
CID 60849992
N',N'-dicyclohexyl-N-cyclopentylethane-1,2-diamine
CID 60851932
N-cyclohexyl-N'-pentyl-N'-propan-2-ylethane-1,2-diamine
CID 55085372
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62573668
N-cyclohexyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490778

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine (CID 67932845) is 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine is CC(NC1CCCCC1)N(CCNC1CCCCC1)C(C)NC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine?
The InChIKey is NVJDVNPKBSBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4/c1-20(26-23-14-8-4-9-15-23)28(19-18-25-22-12-6-3-7-13-22)21(2)27-24-16-10-5-11-17-24/h20-27H,3-19H2,1-2H3.
What are the key properties of 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine?
1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine has a molecular weight of 392.68 g/mol, XLogP of 4.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N'-[1-(cyclohexylamino)ethyl]-1-N'-[2-(cyclohexylamino)ethyl]ethane-1,1-diamine is sourced from PubChem (CID 67932845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).