1-N'-cyclohex-3-en-1-ylethane-1,1-diamine

C8H16N2 — CID 163669862

IUPAC1-N'-cyclohex-3-en-1-ylethane-1,1-diamine
SMILESCC(N)NC1CC=CCC1
InChIInChI=1S/C8H16N2/c1-7(9)10-8-5-3-2-4-6-8/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyJBOIJGGMAPIPGA-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.99
Rot. Bonds2

About 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine

1-N'-cyclohex-3-en-1-ylethane-1,1-diamine (PubChem CID 163669862) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-cyclohex-3-en-1-ylethane-1,1-diamine
PubChem CID163669862
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-N'-cyclohex-3-en-1-ylethane-1,1-diamine
SMILESCC(N)NC1CC=CCC1
InChIInChI=1S/C8H16N2/c1-7(9)10-8-5-3-2-4-6-8/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyJBOIJGGMAPIPGA-UHFFFAOYSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
4-Hexenylamine, N,1-dimethyl-
CID 6435019
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881
(5Z)-2-methyl-2,3,4,7,8,9-hexahydro-1H-azonine
CID 55286801
trans-2,6-Dipropyl-1,2,3,6-tetrahydropyridine
CID 129760154
trans-2,6-Dipropyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 129814177
(2R,6R)-2,6-bis(2-methylprop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
CID 1270455
(2R,6R)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 1590837
trans-6-Methyl-2-propyl-1,2,3,6-tetrahydropyridine
CID 15341439

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine?
The IUPAC name of 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine (CID 163669862) is 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine.
What is the SMILES notation for 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine?
The canonical SMILES for 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine is CC(N)NC1CC=CCC1.
What is the InChIKey of 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine?
The InChIKey is JBOIJGGMAPIPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(9)10-8-5-3-2-4-6-8/h2-3,7-8,10H,4-6,9H2,1H3.
What are the key properties of 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine?
1-N'-cyclohex-3-en-1-ylethane-1,1-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclohex-3-en-1-ylethane-1,1-diamine is sourced from PubChem (CID 163669862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).