chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine

C14H34ClN — CID 143344106

IUPACchloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine
SMILESC=NC.CC.CC.CC=C(CC)CC.CCl
InChIInChI=1S/C7H14.C2H5N.2C2H6.CH3Cl/c1-4-7(5-2)6-3;1-3-2;3*1-2/h4H,5-6H2,1-3H3;1H2,2H3;2*1-2H3;1H3
InChIKeyQRGKYCJJTUDYRX-UHFFFAOYSA-N
MW251.89 g/mol
LogP5.98
Rot. Bonds2

About chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine

chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine (PubChem CID 143344106) has the molecular formula C14H34ClN and a molecular weight of 251.89 g/mol. Its IUPAC name is chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine.

Molecular Properties

Compound Namechloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine
PubChem CID143344106
Molecular FormulaC14H34ClN
Molecular Weight251.89 g/mol
Exact Mass251.24
IUPAC Namechloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine
SMILESC=NC.CC.CC.CC=C(CC)CC.CCl
InChIInChI=1S/C7H14.C2H5N.2C2H6.CH3Cl/c1-4-7(5-2)6-3;1-3-2;3*1-2/h4H,5-6H2,1-3H3;1H2,2H3;2*1-2H3;1H3
InChIKeyQRGKYCJJTUDYRX-UHFFFAOYSA-N
XLogP5.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.89
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)pent-2-ene
CID 123349143
3-ethyl-6-methylideneoct-2-ene
CID 123634534
(Z)-3-ethylpent-3-en-1-ol
CID 21279610
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757
ethane;(Z)-3-ethyl-5-methylhex-2-ene;methanamine
CID 143325011
ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene
CID 178040036
N-[(Z)-2-ethylbut-2-enyl]buta-1,3-dien-1-imine
CID 130180514
3-(chloromethylidene)pentane;silane
CID 175302287
(E)-but-2-ene;2-methylbut-1-ene
CID 160732245
but-2-ene;2-methylbut-1-ene
CID 160732246
(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
CID 59970612
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588

Frequently Asked Questions

What is the IUPAC name of chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine?
The IUPAC name of chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine (CID 143344106) is chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine.
What is the SMILES notation for chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine?
The canonical SMILES for chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine is C=NC.CC.CC.CC=C(CC)CC.CCl.
What is the InChIKey of chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine?
The InChIKey is QRGKYCJJTUDYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H5N.2C2H6.CH3Cl/c1-4-7(5-2)6-3;1-3-2;3*1-2/h4H,5-6H2,1-3H3;1H2,2H3;2*1-2H3;1H3.
What are the key properties of chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine?
chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine has a molecular weight of 251.89 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;ethane;3-ethylpent-2-ene;N-methylmethanimine is sourced from PubChem (CID 143344106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).