1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine

C12H24N2 — CID 102662655

IUPAC1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
SMILESC=CCN(C)C1CCC(NCC)CC1
InChIInChI=1S/C12H24N2/c1-4-10-14(3)12-8-6-11(7-9-12)13-5-2/h4,11-13H,1,5-10H2,2-3H3
InChIKeyXOTVDQFHCDDCMF-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.02
Rot. Bonds5

About 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine

1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine (PubChem CID 102662655) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
PubChem CID102662655
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
SMILESC=CCN(C)C1CCC(NCC)CC1
InChIInChI=1S/C12H24N2/c1-4-10-14(3)12-8-6-11(7-9-12)13-5-2/h4,11-13H,1,5-10H2,2-3H3
InChIKeyXOTVDQFHCDDCMF-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
N-ethylcyclopropanamine;hydrochloride
CID 43810659
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574
6-[[4-(ethylamino)cyclohexyl]-methylamino]hexan-1-ol
CID 107701944
3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
CID 82842720
1-N-ethyl-4-N-(4-methoxybutyl)-4-N-methylcyclohexane-1,4-diamine
CID 104646719
2-[[4-(ethylamino)cyclohexyl]-methylamino]ethanesulfonamide
CID 114384646
1-N-ethyl-4-N-methyl-4-N-(3-methylsulfonylpropyl)cyclohexane-1,4-diamine
CID 79123111
N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
4-N-but-3-enyl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111304
4-[[[4-(ethylamino)cyclohexyl]-methylamino]methyl]oxan-4-ol
CID 114954279
1-N-ethyl-4-N-methyl-4-N-pyridin-4-ylcyclohexane-1,4-diamine
CID 79122529

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine (CID 102662655) is 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine is C=CCN(C)C1CCC(NCC)CC1.
What is the InChIKey of 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine?
The InChIKey is XOTVDQFHCDDCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-10-14(3)12-8-6-11(7-9-12)13-5-2/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine?
1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine is sourced from PubChem (CID 102662655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).