ethane;2-methylbut-1-ene;N-methylethanimine

C12H29N — CID 145124477

IUPACethane;2-methylbut-1-ene;N-methylethanimine
SMILESC/C=N/C.C=C(C)CC.CC.CC
InChIInChI=1S/C5H10.C3H7N.2C2H6/c1-4-5(2)3;1-3-4-2;2*1-2/h2,4H2,1,3H3;3H,1-2H3;2*1-2H3/b;4-3+;;
InChIKeyBKVWPWIPAHSKEE-NXZCPFRHSA-N
MW187.37 g/mol
LogP4.73
Rot. Bonds1

About ethane;2-methylbut-1-ene;N-methylethanimine

ethane;2-methylbut-1-ene;N-methylethanimine (PubChem CID 145124477) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;2-methylbut-1-ene;N-methylethanimine.

Molecular Properties

Compound Nameethane;2-methylbut-1-ene;N-methylethanimine
PubChem CID145124477
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;2-methylbut-1-ene;N-methylethanimine
SMILESC/C=N/C.C=C(C)CC.CC.CC
InChIInChI=1S/C5H10.C3H7N.2C2H6/c1-4-5(2)3;1-3-4-2;2*1-2/h2,4H2,1,3H3;3H,1-2H3;2*1-2H3/b;4-3+;;
InChIKeyBKVWPWIPAHSKEE-NXZCPFRHSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethylidene(methyl)azanium;2-methylbut-1-ene
CID 53960541
N-[(Z)-2-ethylpent-1-enyl]ethanimine
CID 89306117
N-[(Z)-2-methylbut-1-enyl]propan-1-imine
CID 89331090
N-[(E)-2-methylpent-1-enyl]ethanimine
CID 89343582
2-methyl-N-(2-methylbut-1-enyl)propan-1-imine
CID 90886341
N-(2-ethylbut-1-enyl)propan-1-imine
CID 118048893
N,6-dimethylocta-4,5-dien-1-imine
CID 123188285
Ethane;4-methylidene-2,3-dihydropyrrole
CID 123208549
N-[(1E)-2,3-dimethylbuta-1,3-dienyl]ethanimine
CID 123219705
N,5-dimethylhex-5-en-1-imine
CID 123362950
N-[(E)-2-methylhex-1-enyl]ethanimine
CID 123416637
Dimethyl(3-methylbut-3-enylidene)azanium
CID 123474951

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbut-1-ene;N-methylethanimine?
The IUPAC name of ethane;2-methylbut-1-ene;N-methylethanimine (CID 145124477) is ethane;2-methylbut-1-ene;N-methylethanimine.
What is the SMILES notation for ethane;2-methylbut-1-ene;N-methylethanimine?
The canonical SMILES for ethane;2-methylbut-1-ene;N-methylethanimine is C/C=N/C.C=C(C)CC.CC.CC.
What is the InChIKey of ethane;2-methylbut-1-ene;N-methylethanimine?
The InChIKey is BKVWPWIPAHSKEE-NXZCPFRHSA-N. The full InChI is InChI=1S/C5H10.C3H7N.2C2H6/c1-4-5(2)3;1-3-4-2;2*1-2/h2,4H2,1,3H3;3H,1-2H3;2*1-2H3/b;4-3+;;.
What are the key properties of ethane;2-methylbut-1-ene;N-methylethanimine?
ethane;2-methylbut-1-ene;N-methylethanimine has a molecular weight of 187.37 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbut-1-ene;N-methylethanimine is sourced from PubChem (CID 145124477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).