N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine

C12H19N — CID 122514657

IUPACN,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=C1CC=CC(N(C)CC)=C1CC
InChIInChI=1S/C12H19N/c1-5-11-10(3)8-7-9-12(11)13(4)6-2/h7,9H,3,5-6,8H2,1-2,4H3
InChIKeyFDSDBZHAGPEHCI-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.12
Rot. Bonds3

About N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine

N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine (PubChem CID 122514657) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine
PubChem CID122514657
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine
SMILESC=C1CC=CC(N(C)CC)=C1CC
InChIInChI=1S/C12H19N/c1-5-11-10(3)8-7-9-12(11)13(4)6-2/h7,9H,3,5-6,8H2,1-2,4H3
InChIKeyFDSDBZHAGPEHCI-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(dimethyloctadienyl)diethylamine
CID 129811778
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
(E)-N-ethyl-3-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-amine
CID 143417445
(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine
CID 143750069
(6E)-1-ethyl-6-ethylidene-2-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridine
CID 146385505
(3Z,5E)-N-(4-cyclohexa-1,5-dien-1-ylbutyl)-N-ethyl-2,4-difluorohepta-1,3,5-trien-3-amine
CID 146754551
6-ethenyl-1-ethyl-5-(1-fluoroethenyl)-3,4-dihydro-2H-pyridine
CID 156800818
1-ethyl-3-(2-fluoroethyl)-5-methyl-4-methylidene-2-[(Z)-prop-1-enyl]pyridine
CID 167018846
3-[(1E,3E)-2,4-difluorobuta-1,3-dienyl]-1-ethyl-2,5-dimethyl-4-methylidenepyridine
CID 167018857
dilithium;N-ethyl-4-methyl-N-(4-methylbenzene-6-id-1-yl)benzene-6-id-1-amine
CID 12829520
1-(Cyclopenta-2,4-dien-1-ylidene)-N,N-diethylethan-1-amine
CID 45088785

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine?
The IUPAC name of N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine (CID 122514657) is N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine is C=C1CC=CC(N(C)CC)=C1CC.
What is the InChIKey of N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine?
The InChIKey is FDSDBZHAGPEHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-5-11-10(3)8-7-9-12(11)13(4)6-2/h7,9H,3,5-6,8H2,1-2,4H3.
What are the key properties of N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine?
N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N-methyl-3-methylidenecyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 122514657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).