N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine

C18H23N — CID 139324150

IUPACN,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESC=CN(C=C)C1=CC=CC(C2=C(C)CCC=C2)C1C
InChIInChI=1S/C18H23N/c1-5-19(6-2)18-13-9-12-17(15(18)4)16-11-8-7-10-14(16)3/h5-6,8-9,11-13,15,17H,1-2,7,10H2,3-4H3
InChIKeyRHACLXCGNUNYBC-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.95
Rot. Bonds4

About N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine

N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 139324150) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
PubChem CID139324150
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESC=CN(C=C)C1=CC=CC(C2=C(C)CCC=C2)C1C
InChIInChI=1S/C18H23N/c1-5-19(6-2)18-13-9-12-17(15(18)4)16-11-8-7-10-14(16)3/h5-6,8-9,11-13,15,17H,1-2,7,10H2,3-4H3
InChIKeyRHACLXCGNUNYBC-UHFFFAOYSA-N
XLogP4.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 123826438
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
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CID 132123933
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N,N-dimethyl-3a,7a-dihydro-3H-inden-1-amine
CID 20675200
4-propan-2-yl-1-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-3,6-dihydro-2H-pyridine
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Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine (CID 139324150) is N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine is C=CN(C=C)C1=CC=CC(C2=C(C)CCC=C2)C1C.
What is the InChIKey of N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is RHACLXCGNUNYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-5-19(6-2)18-13-9-12-17(15(18)4)16-11-8-7-10-14(16)3/h5-6,8-9,11-13,15,17H,1-2,7,10H2,3-4H3.
What are the key properties of N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine?
N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethenyl)-6-methyl-5-(2-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 139324150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).