5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine

C12H24N2O — CID 67562607

IUPAC5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
SMILESCOC(CCN)C(N)CC1=CCCCC1
InChIInChI=1S/C12H24N2O/c1-15-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h5,11-12H,2-4,6-9,13-14H2,1H3
InChIKeyYTNHFDZXPUYKHO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.57
Rot. Bonds6

About 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine

5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine (PubChem CID 67562607) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
PubChem CID67562607
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine
SMILESCOC(CCN)C(N)CC1=CCCCC1
InChIInChI=1S/C12H24N2O/c1-15-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h5,11-12H,2-4,6-9,13-14H2,1H3
InChIKeyYTNHFDZXPUYKHO-UHFFFAOYSA-N
XLogP1.57
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine?
The IUPAC name of 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine (CID 67562607) is 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine.
What is the SMILES notation for 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine?
The canonical SMILES for 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine is COC(CCN)C(N)CC1=CCCCC1.
What is the InChIKey of 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine?
The InChIKey is YTNHFDZXPUYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-15-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h5,11-12H,2-4,6-9,13-14H2,1H3.
What are the key properties of 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine?
5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-3-methoxypentane-1,4-diamine is sourced from PubChem (CID 67562607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).