N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine

C10H17N — CID 21412146

IUPACN,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCN(C)CC1(C)C=CC=CC1
InChIInChI=1S/C10H17N/c1-10(9-11(2)3)7-5-4-6-8-10/h4-7H,8-9H2,1-3H3
InChIKeyAELXIJYCEPRBBS-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.07
Rot. Bonds2

About N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine

N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 21412146) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID21412146
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCN(C)CC1(C)C=CC=CC1
InChIInChI=1S/C10H17N/c1-10(9-11(2)3)7-5-4-6-8-10/h4-7H,8-9H2,1-3H3
InChIKeyAELXIJYCEPRBBS-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.07
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-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine (CID 21412146) is N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine is CN(C)CC1(C)C=CC=CC1.
What is the InChIKey of N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is AELXIJYCEPRBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(9-11(2)3)7-5-4-6-8-10/h4-7H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
N,N-dimethyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 151.25 g/mol, XLogP of 2.07, 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-(1-methylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 21412146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).