butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine

C12H26N2 — CID 142002461

IUPACbutan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine
SMILESC/C=C(\N=C\C)C(C)C.CCCCN
InChIInChI=1S/C8H15N.C4H11N/c1-5-8(7(3)4)9-6-2;1-2-3-4-5/h5-7H,1-4H3;2-5H2,1H3/b8-5-,9-6+;
InChIKeyGUZGCLKNBBPMIH-BJHRKZFFSA-N
MW198.35 g/mol
LogP3.38
Rot. Bonds4

About butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine

butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine (PubChem CID 142002461) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine.

Molecular Properties

Compound Namebutan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine
PubChem CID142002461
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Namebutan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine
SMILESC/C=C(\N=C\C)C(C)C.CCCCN
InChIInChI=1S/C8H15N.C4H11N/c1-5-8(7(3)4)9-6-2;1-2-3-4-5/h5-7H,1-4H3;2-5H2,1H3/b8-5-,9-6+;
InChIKeyGUZGCLKNBBPMIH-BJHRKZFFSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
The IUPAC name of butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine (CID 142002461) is butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine.
What is the SMILES notation for butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
The canonical SMILES for butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine is C/C=C(\N=C\C)C(C)C.CCCCN.
What is the InChIKey of butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
The InChIKey is GUZGCLKNBBPMIH-BJHRKZFFSA-N. The full InChI is InChI=1S/C8H15N.C4H11N/c1-5-8(7(3)4)9-6-2;1-2-3-4-5/h5-7H,1-4H3;2-5H2,1H3/b8-5-,9-6+;.
What are the key properties of butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine?
butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine has a molecular weight of 198.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;N-[(Z)-4-methylpent-2-en-3-yl]ethanimine is sourced from PubChem (CID 142002461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).