1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine

C13H24N2 — CID 58314575

IUPAC1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine
SMILESC=CCN(CC=C)C1(C)CCC(N)CC1
InChIInChI=1S/C13H24N2/c1-4-10-15(11-5-2)13(3)8-6-12(14)7-9-13/h4-5,12H,1-2,6-11,14H2,3H3
InChIKeyKMHICGBNRIPBDQ-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.32
Rot. Bonds5

About 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine

1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine (PubChem CID 58314575) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine
PubChem CID58314575
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine
SMILESC=CCN(CC=C)C1(C)CCC(N)CC1
InChIInChI=1S/C13H24N2/c1-4-10-15(11-5-2)13(3)8-6-12(14)7-9-13/h4-5,12H,1-2,6-11,14H2,3H3
InChIKeyKMHICGBNRIPBDQ-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.32
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-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine (CID 58314575) is 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine is C=CCN(CC=C)C1(C)CCC(N)CC1.
What is the InChIKey of 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine?
The InChIKey is KMHICGBNRIPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-10-15(11-5-2)13(3)8-6-12(14)7-9-13/h4-5,12H,1-2,6-11,14H2,3H3.
What are the key properties of 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine?
1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-N,1-N-bis(prop-2-enyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 58314575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).