N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine

C10H19N — CID 126738438

IUPACN-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine
SMILESC=N[C@H](/C=C(/C)CCC)CC
InChIInChI=1S/C10H19N/c1-5-7-9(3)8-10(6-2)11-4/h8,10H,4-7H2,1-3H3/b9-8-/t10-/m0/s1
InChIKeyHFMGBXDAJKUDMO-QROTZFDESA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds5

About N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine

N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine (PubChem CID 126738438) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine
PubChem CID126738438
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine
SMILESC=N[C@H](/C=C(/C)CCC)CC
InChIInChI=1S/C10H19N/c1-5-7-9(3)8-10(6-2)11-4/h8,10H,4-7H2,1-3H3/b9-8-/t10-/m0/s1
InChIKeyHFMGBXDAJKUDMO-QROTZFDESA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.21
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-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine?
The IUPAC name of N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine (CID 126738438) is N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine.
What is the SMILES notation for N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine?
The canonical SMILES for N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine is C=N[C@H](/C=C(/C)CCC)CC.
What is the InChIKey of N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine?
The InChIKey is HFMGBXDAJKUDMO-QROTZFDESA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-9(3)8-10(6-2)11-4/h8,10H,4-7H2,1-3H3/b9-8-/t10-/m0/s1.
What are the key properties of N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine?
N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine is sourced from PubChem (CID 126738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).