N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine

C11H17N — CID 70640464

IUPACN,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine
SMILESC=C(C1=CC=C(C)CC1)N(C)C
InChIInChI=1S/C11H17N/c1-9-5-7-11(8-6-9)10(2)12(3)4/h5,7H,2,6,8H2,1,3-4H3
InChIKeyQLOHUXLQPNRFSC-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds2

About N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine

N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine (PubChem CID 70640464) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine
PubChem CID70640464
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine
SMILESC=C(C1=CC=C(C)CC1)N(C)C
InChIInChI=1S/C11H17N/c1-9-5-7-11(8-6-9)10(2)12(3)4/h5,7H,2,6,8H2,1,3-4H3
InChIKeyQLOHUXLQPNRFSC-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine?
The IUPAC name of N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine (CID 70640464) is N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine is C=C(C1=CC=C(C)CC1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine?
The InChIKey is QLOHUXLQPNRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-5-7-11(8-6-9)10(2)12(3)4/h5,7H,2,6,8H2,1,3-4H3.
What are the key properties of N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine?
N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylcyclohexa-1,3-dien-1-yl)ethenamine is sourced from PubChem (CID 70640464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).