N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine

C13H21N — CID 166448865

IUPACN,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
SMILESC=C1C(C)=CC(C)=CC1(C)CN(C)C
InChIInChI=1S/C13H21N/c1-10-7-11(2)12(3)13(4,8-10)9-14(5)6/h7-8H,3,9H2,1-2,4-6H3
InChIKeyCLXDUTGMHGAHMB-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.02
Rot. Bonds2

About N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine

N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 166448865) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
PubChem CID166448865
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
SMILESC=C1C(C)=CC(C)=CC1(C)CN(C)C
InChIInChI=1S/C13H21N/c1-10-7-11(2)12(3)13(4,8-10)9-14(5)6/h7-8H,3,9H2,1-2,4-6H3
InChIKeyCLXDUTGMHGAHMB-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.02
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-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine (CID 166448865) is N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine is C=C1C(C)=CC(C)=CC1(C)CN(C)C.
What is the InChIKey of N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is CLXDUTGMHGAHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10-7-11(2)12(3)13(4,8-10)9-14(5)6/h7-8H,3,9H2,1-2,4-6H3.
What are the key properties of N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine?
N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 191.32 g/mol, XLogP of 3.02, 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-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 166448865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).