(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine

C10H17N — CID 68634677

IUPAC(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC[C@@]1(CC=CC=C1)N(C)C
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h5-8H,4,9H2,1-3H3/t10-/m1/s1
InChIKeySTHCIJVUBRRPNO-SNVBAGLBSA-N
MW151.25 g/mol
LogP2.50
Rot. Bonds2

About (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine

(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 68634677) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID68634677
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC[C@@]1(CC=CC=C1)N(C)C
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h5-8H,4,9H2,1-3H3/t10-/m1/s1
InChIKeySTHCIJVUBRRPNO-SNVBAGLBSA-N
XLogP2.50
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.50
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
6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 155197686
1-Diethylaminostyrene
CID 129871574
N,N,1-trimethylcyclohexa-2,4-dien-1-amine
CID 18957337
N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine
CID 66765762
N,N,1-trimethyl-6-methylidene-4-pent-1-en-2-ylcyclohexa-2,4-dien-1-amine
CID 66765763
1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 67104168
1-(1-methylcyclohexa-2,4-dien-1-yl)-3,6-dihydro-2H-pyridine
CID 67259736
(1-Ethylcyclohexa-2,4-dien-1-yl)-trimethylazanium chloride
CID 68622736
[(1S)-1-ethylcyclohexa-2,4-dien-1-yl]-trimethylazanium chloride
CID 68975638
(1R)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 68975876

Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine (CID 68634677) is (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine is CC[C@@]1(CC=CC=C1)N(C)C.
What is the InChIKey of (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is STHCIJVUBRRPNO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(11(2)3)8-6-5-7-9-10/h5-8H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine?
(1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethyl-N,N-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68634677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).