N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine

C11H17N — CID 146512197

IUPACN-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine
SMILESC=CN(C)CC1=C(C)C=CCC1
InChIInChI=1S/C11H17N/c1-4-12(3)9-11-8-6-5-7-10(11)2/h4-5,7H,1,6,8-9H2,2-3H3
InChIKeyVSMSEJAEMPWHGF-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.73
Rot. Bonds3

About N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine

N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine (PubChem CID 146512197) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine
PubChem CID146512197
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine
SMILESC=CN(C)CC1=C(C)C=CCC1
InChIInChI=1S/C11H17N/c1-4-12(3)9-11-8-6-5-7-10(11)2/h4-5,7H,1,6,8-9H2,2-3H3
InChIKeyVSMSEJAEMPWHGF-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine?
The IUPAC name of N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine (CID 146512197) is N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine.
What is the SMILES notation for N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine?
The canonical SMILES for N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine is C=CN(C)CC1=C(C)C=CCC1.
What is the InChIKey of N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine?
The InChIKey is VSMSEJAEMPWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-12(3)9-11-8-6-5-7-10(11)2/h4-5,7H,1,6,8-9H2,2-3H3.
What are the key properties of N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine?
N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine has a molecular weight of 163.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]ethenamine is sourced from PubChem (CID 146512197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).