1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine

C10H20N2 — CID 126982158

IUPAC1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)C1C=CCCC1
InChIInChI=1S/C10H20N2/c1-9(11)8-12(2)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8,11H2,1-2H3
InChIKeyPKRHZJNSHCKODH-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.37
Rot. Bonds3

About 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine

1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine (PubChem CID 126982158) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine
PubChem CID126982158
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)C1C=CCCC1
InChIInChI=1S/C10H20N2/c1-9(11)8-12(2)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8,11H2,1-2H3
InChIKeyPKRHZJNSHCKODH-UHFFFAOYSA-N
XLogP1.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine (CID 126982158) is 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine is CC(N)CN(C)C1C=CCCC1.
What is the InChIKey of 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine?
The InChIKey is PKRHZJNSHCKODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(11)8-12(2)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8,11H2,1-2H3.
What are the key properties of 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine?
1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 126982158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).