N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine

C18H32N2 — CID 142160818

IUPACN'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine
SMILESCC(NCCCN)C1CC=CCC1CC1=CCCCC1
InChIInChI=1S/C18H32N2/c1-15(20-13-7-12-19)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16/h5-6,8,15,17-18,20H,2-4,7,9-14,19H2,1H3
InChIKeyOBFRTKGPBPVVAD-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.79
Rot. Bonds7

About N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine

N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine (PubChem CID 142160818) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine
PubChem CID142160818
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine
SMILESCC(NCCCN)C1CC=CCC1CC1=CCCCC1
InChIInChI=1S/C18H32N2/c1-15(20-13-7-12-19)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16/h5-6,8,15,17-18,20H,2-4,7,9-14,19H2,1H3
InChIKeyOBFRTKGPBPVVAD-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.79
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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Frequently Asked Questions

What is the IUPAC name of N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine (CID 142160818) is N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine is CC(NCCCN)C1CC=CCC1CC1=CCCCC1.
What is the InChIKey of N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine?
The InChIKey is OBFRTKGPBPVVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-15(20-13-7-12-19)18-11-6-5-10-17(18)14-16-8-3-2-4-9-16/h5-6,8,15,17-18,20H,2-4,7,9-14,19H2,1H3.
What are the key properties of N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine?
N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[6-(cyclohexen-1-ylmethyl)cyclohex-3-en-1-yl]ethyl]propane-1,3-diamine is sourced from PubChem (CID 142160818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).