N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine

C10H19N — CID 126690373

IUPACN-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine
SMILESC=N[C@@H](CC)[C@@H](C)/C(C)=C/C
InChIInChI=1S/C10H19N/c1-6-8(3)9(4)10(7-2)11-5/h6,9-10H,5,7H2,1-4H3/b8-6+/t9-,10-/m0/s1
InChIKeyCDNURNSQDSMKHU-OKJFYCPLSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds4

About N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine

N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine (PubChem CID 126690373) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine.

Molecular Properties

Compound NameN-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine
PubChem CID126690373
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine
SMILESC=N[C@@H](CC)[C@@H](C)/C(C)=C/C
InChIInChI=1S/C10H19N/c1-6-8(3)9(4)10(7-2)11-5/h6,9-10H,5,7H2,1-4H3/b8-6+/t9-,10-/m0/s1
InChIKeyCDNURNSQDSMKHU-OKJFYCPLSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
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-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine?
The IUPAC name of N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine (CID 126690373) is N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine.
What is the SMILES notation for N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine?
The canonical SMILES for N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine is C=N[C@@H](CC)[C@@H](C)/C(C)=C/C.
What is the InChIKey of N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine?
The InChIKey is CDNURNSQDSMKHU-OKJFYCPLSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8(3)9(4)10(7-2)11-5/h6,9-10H,5,7H2,1-4H3/b8-6+/t9-,10-/m0/s1.
What are the key properties of N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine?
N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3S,4S)-4,5-dimethylhept-5-en-3-yl]methanimine is sourced from PubChem (CID 126690373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).