4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine

C12H20N2 — CID 89209445

IUPAC4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
SMILESC=CC1=C(N(C)C(C)C)C=C(N)CC1
InChIInChI=1S/C12H20N2/c1-5-10-6-7-11(13)8-12(10)14(4)9(2)3/h5,8-9H,1,6-7,13H2,2-4H3
InChIKeyLPTLYMQHYQFCDP-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.40
Rot. Bonds3

About 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine

4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine (PubChem CID 89209445) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
PubChem CID89209445
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
SMILESC=CC1=C(N(C)C(C)C)C=C(N)CC1
InChIInChI=1S/C12H20N2/c1-5-10-6-7-11(13)8-12(10)14(4)9(2)3/h5,8-9H,1,6-7,13H2,2-4H3
InChIKeyLPTLYMQHYQFCDP-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
3-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-N-methylbuta-1,3-diene-2,3-diamine
CID 135269419
(3Z)-N-propan-2-yl-3-prop-2-enylidenecyclohexen-1-amine
CID 134948808
N-propan-2-yl-5-[(E)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 134966651
6-methylidene-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 19799421
1-N,1-N-diethylcyclohexa-3,5-diene-1,3-diamine
CID 21525081
3-(1-methyl-2H-pyridin-3-yl)propan-1-amine
CID 21948972
N-methyl-N-propyl-3,4,7,9-tetrahydro-2H-carbazol-2-amine
CID 53666375
N-propyl-3,4,7,9-tetrahydro-2H-carbazol-2-amine
CID 54383683
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
3-[4-(Dimethylamino)cyclohexen-1-yl]benzene-5-id-1-amine;yttrium
CID 58852373
1-Tert-butyl-2,4-dihydroindol-5-amine
CID 67269974

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine (CID 89209445) is 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine is C=CC1=C(N(C)C(C)C)C=C(N)CC1.
What is the InChIKey of 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
The InChIKey is LPTLYMQHYQFCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-10-6-7-11(13)8-12(10)14(4)9(2)3/h5,8-9H,1,6-7,13H2,2-4H3.
What are the key properties of 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 89209445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).