1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine

C10H15N — CID 142160073

IUPAC1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=CC=CC1
InChIInChI=1S/C10H15N/c1-11(2)9-10-7-5-3-4-6-8-10/h3-7H,8-9H2,1-2H3
InChIKeyCFNZXZYZIVKRCU-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.99
Rot. Bonds2

About 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine

1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine (PubChem CID 142160073) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine
PubChem CID142160073
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC=CC=CC1
InChIInChI=1S/C10H15N/c1-11(2)9-10-7-5-3-4-6-8-10/h3-7H,8-9H2,1-2H3
InChIKeyCFNZXZYZIVKRCU-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine
CID 143312048
1-(chloromethyl)cyclohepta-1,3,5-triene
CID 12899029
ethane;1-ethylcyclohepta-1,3,5-triene
CID 142143578
1-ethylcyclohepta-1,3,5-triene;methane
CID 145260552
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
N,N-dimethylcyclohepta-1,3,5-trien-1-amine
CID 13380462
1-ethylcyclopenta-1,3-diene
CID 528166
N-(cyclopenta-1,3-dien-1-ylmethyl)-N-methylbut-2-ynamide
CID 89162521
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
1-hept-6-enylcyclohepta-1,3,5-triene
CID 144531199
cyclopenta-1,3-dien-1-ylmethyl(trimethyl)silane;hafnium;dichloride
CID 174968217
cyclohepta-1,3,5-trien-1-ylmethyl butanoate
CID 142997706

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine?
The IUPAC name of 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine (CID 142160073) is 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine.
What is the SMILES notation for 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine?
The canonical SMILES for 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine is CN(C)CC1=CC=CC=CC1.
What is the InChIKey of 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine?
The InChIKey is CFNZXZYZIVKRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-11(2)9-10-7-5-3-4-6-8-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine?
1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine has a molecular weight of 149.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine is sourced from PubChem (CID 142160073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).