N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine

C10H15N — CID 167485874

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine
SMILESC=CN(C)CC1=CCCC=C1
InChIInChI=1S/C10H15N/c1-3-11(2)9-10-7-5-4-6-8-10/h3,5,7-8H,1,4,6,9H2,2H3
InChIKeyIMFGXGFIPSLVLX-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.34
Rot. Bonds3

About N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine

N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine (PubChem CID 167485874) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine
PubChem CID167485874
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine
SMILESC=CN(C)CC1=CCCC=C1
InChIInChI=1S/C10H15N/c1-3-11(2)9-10-7-5-4-6-8-10/h3,5,7-8H,1,4,6,9H2,2H3
InChIKeyIMFGXGFIPSLVLX-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine (CID 167485874) is N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine is C=CN(C)CC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
The InChIKey is IMFGXGFIPSLVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-11(2)9-10-7-5-4-6-8-10/h3,5,7-8H,1,4,6,9H2,2H3.
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine?
N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine has a molecular weight of 149.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylethenamine is sourced from PubChem (CID 167485874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).