N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine

C14H25N — CID 134332940

IUPACN-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine
SMILESC=NC1C(C)C1/C=C(\CCC)CCCC
InChIInChI=1S/C14H25N/c1-5-7-9-12(8-6-2)10-13-11(3)14(13)15-4/h10-11,13-14H,4-9H2,1-3H3/b12-10+
InChIKeyXAXQRIRCWZEFFM-ZRDIBKRKSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds7

About N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine

N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine (PubChem CID 134332940) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine.

Molecular Properties

Compound NameN-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine
PubChem CID134332940
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine
SMILESC=NC1C(C)C1/C=C(\CCC)CCCC
InChIInChI=1S/C14H25N/c1-5-7-9-12(8-6-2)10-13-11(3)14(13)15-4/h10-11,13-14H,4-9H2,1-3H3/b12-10+
InChIKeyXAXQRIRCWZEFFM-ZRDIBKRKSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine?
The IUPAC name of N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine (CID 134332940) is N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine.
What is the SMILES notation for N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine?
The canonical SMILES for N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine is C=NC1C(C)C1/C=C(\CCC)CCCC.
What is the InChIKey of N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine?
The InChIKey is XAXQRIRCWZEFFM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H25N/c1-5-7-9-12(8-6-2)10-13-11(3)14(13)15-4/h10-11,13-14H,4-9H2,1-3H3/b12-10+.
What are the key properties of N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine?
N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine is sourced from PubChem (CID 134332940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).