N,N,1-trimethylcyclohexa-2,4-dien-1-amine

C9H15N — CID 18957337

IUPACN,N,1-trimethylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(C)C=CC=CC1
InChIInChI=1S/C9H15N/c1-9(10(2)3)7-5-4-6-8-9/h4-7H,8H2,1-3H3
InChIKeyUOOYMVPFKHNYKF-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.82
Rot. Bonds1

About N,N,1-trimethylcyclohexa-2,4-dien-1-amine

N,N,1-trimethylcyclohexa-2,4-dien-1-amine (PubChem CID 18957337) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N,1-trimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N,1-trimethylcyclohexa-2,4-dien-1-amine
PubChem CID18957337
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N,1-trimethylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(C)C=CC=CC1
InChIInChI=1S/C9H15N/c1-9(10(2)3)7-5-4-6-8-9/h4-7H,8H2,1-3H3
InChIKeyUOOYMVPFKHNYKF-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dropempine
CID 65785
Pyridine, 1,2,3,6-tetrahydro-1,2,2,6,6-pentamethyl-, hydrochloride
CID 3048403
1-fluoro-N-(fluoromethyl)-N-methylcyclohexa-2,4-dien-1-amine
CID 22638016
N,N-dimethyl-1-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 153525299
6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 155197686
1-fluoro-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 173464044
(6R)-4-fluoro-N,N,6-trimethylcyclohexa-2,4-dien-1-amine
CID 174286751
lithium N,N-dimethyl-1-phenylethanamine
CID 12454870
lithium (1R)-N,N-dimethyl-1-phenylethanamine
CID 12454871
lithium (1S)-N,N-dimethyl-1-phenylethanamine
CID 12454872
copper(1+);N,N-dimethyl-1-phenylethanamine
CID 12454880
4-Dimethylamino-p-tolunitril
CID 129645310

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N,1-trimethylcyclohexa-2,4-dien-1-amine (CID 18957337) is N,N,1-trimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N,1-trimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N,1-trimethylcyclohexa-2,4-dien-1-amine is CN(C)C1(C)C=CC=CC1.
What is the InChIKey of N,N,1-trimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is UOOYMVPFKHNYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(10(2)3)7-5-4-6-8-9/h4-7H,8H2,1-3H3.
What are the key properties of N,N,1-trimethylcyclohexa-2,4-dien-1-amine?
N,N,1-trimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 18957337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).