N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane

C13H25N — CID 143122302

IUPACN-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane
SMILESC.CCCN(CC)C1C=CC(C)=CC1
InChIInChI=1S/C12H21N.CH4/c1-4-10-13(5-2)12-8-6-11(3)7-9-12;/h6-8,12H,4-5,9-10H2,1-3H3;1H4
InChIKeyWGIITGPTODHYSD-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.63
Rot. Bonds4

About N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane

N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane (PubChem CID 143122302) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane
PubChem CID143122302
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane
SMILESC.CCCN(CC)C1C=CC(C)=CC1
InChIInChI=1S/C12H21N.CH4/c1-4-10-13(5-2)12-8-6-11(3)7-9-12;/h6-8,12H,4-5,9-10H2,1-3H3;1H4
InChIKeyWGIITGPTODHYSD-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4-(ethyldiazenyl)-N-propylcyclohexa-2,4-dien-1-amine
CID 163547052
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
N-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]ethanamine
CID 155181808
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-[4-[4-(4-methyl-N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 88941579
1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine
CID 143286493
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
1-[4-[2-(4-acetylanilino)ethyl-ethylamino]cyclohexa-1,5-dien-1-yl]ethanone
CID 134527217
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)-N-[4-[(E)-2-[4-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]aniline
CID 154950473
2-[cyclohexa-2,4-dien-1-yl(ethyl)amino]ethanol
CID 89352613
N-methyl-4-(4-methylpiperazin-1-yl)-N-propylcyclohexa-2,4-dien-1-amine
CID 167253998

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane?
The IUPAC name of N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane (CID 143122302) is N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane.
What is the SMILES notation for N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane?
The canonical SMILES for N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane is C.CCCN(CC)C1C=CC(C)=CC1.
What is the InChIKey of N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane?
The InChIKey is WGIITGPTODHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.CH4/c1-4-10-13(5-2)12-8-6-11(3)7-9-12;/h6-8,12H,4-5,9-10H2,1-3H3;1H4.
What are the key properties of N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane?
N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane has a molecular weight of 195.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane is sourced from PubChem (CID 143122302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).