N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine

C18H28N2 — CID 142386779

IUPACN-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine
SMILESC=C(CCC)/C(C)=N/C.C=NCc1cccc(CC)c1
InChIInChI=1S/C10H13N.C8H15N/c1-3-9-5-4-6-10(7-9)8-11-2;1-5-6-7(2)8(3)9-4/h4-7H,2-3,8H2,1H3;2,5-6H2,1,3-4H3/b;9-8+
InChIKeyGXMQVTDEQFHGPL-RJDPJKJLSA-N
MW272.44 g/mol
LogP4.88
Rot. Bonds6

About N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine

N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine (PubChem CID 142386779) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine
PubChem CID142386779
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine
SMILESC=C(CCC)/C(C)=N/C.C=NCc1cccc(CC)c1
InChIInChI=1S/C10H13N.C8H15N/c1-3-9-5-4-6-10(7-9)8-11-2;1-5-6-7(2)8(3)9-4/h4-7H,2-3,8H2,1H3;2,5-6H2,1,3-4H3/b;9-8+
InChIKeyGXMQVTDEQFHGPL-RJDPJKJLSA-N
XLogP4.88
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-[(methylideneamino)methyl]phenyl]methanamine
CID 142068728
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
1,3-diethylbenzene;2,4,4-trimethylpent-1-ene
CID 170590525
bis(1-ethyl-3-prop-2-ynylbenzene);bis(2-methylprop-1-ene)
CID 157132048
1-(3-ethylphenyl)-3-methylbut-3-en-2-amine
CID 170419567
3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
CID 143798089
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
1-ethyl-3-methyliodanuidylbenzene
CID 132989510
2-N,3-N-bis(3-ethylphenyl)heptane-2,3-diimine;palladium
CID 87875173
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
(NE)-N-[1-(3-ethylphenyl)ethylidene]hydroxylamine
CID 22968888
1-chloro-3-(3-methylidenehexyl)benzene
CID 142053887

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine?
The IUPAC name of N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine (CID 142386779) is N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine?
The canonical SMILES for N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine is C=C(CCC)/C(C)=N/C.C=NCc1cccc(CC)c1.
What is the InChIKey of N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine?
The InChIKey is GXMQVTDEQFHGPL-RJDPJKJLSA-N. The full InChI is InChI=1S/C10H13N.C8H15N/c1-3-9-5-4-6-10(7-9)8-11-2;1-5-6-7(2)8(3)9-4/h4-7H,2-3,8H2,1H3;2,5-6H2,1,3-4H3/b;9-8+.
What are the key properties of N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine?
N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine has a molecular weight of 272.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]methanimine;N-methyl-3-methylidenehexan-2-imine is sourced from PubChem (CID 142386779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).