N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine

C9H18NP — CID 91385034

IUPACN,4,5-trimethyl-1-phosphanylhex-1-en-3-imine
SMILESC/N=C(\C=CP)C(C)C(C)C
InChIInChI=1S/C9H18NP/c1-7(2)8(3)9(10-4)5-6-11/h5-8H,11H2,1-4H3/b6-5?,10-9+
InChIKeyCHLDORUFMZJTRI-ZFZICBQDSA-N
MW171.22 g/mol
LogP2.74
Rot. Bonds3

About N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine

N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine (PubChem CID 91385034) has the molecular formula C9H18NP and a molecular weight of 171.22 g/mol. Its IUPAC name is N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine.

Molecular Properties

Compound NameN,4,5-trimethyl-1-phosphanylhex-1-en-3-imine
PubChem CID91385034
Molecular FormulaC9H18NP
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC NameN,4,5-trimethyl-1-phosphanylhex-1-en-3-imine
SMILESC/N=C(\C=CP)C(C)C(C)C
InChIInChI=1S/C9H18NP/c1-7(2)8(3)9(10-4)5-6-11/h5-8H,11H2,1-4H3/b6-5?,10-9+
InChIKeyCHLDORUFMZJTRI-ZFZICBQDSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethylhept-1-en-3-imine
CID 123647931

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine?
The IUPAC name of N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine (CID 91385034) is N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine.
What is the SMILES notation for N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine?
The canonical SMILES for N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine is C/N=C(\C=CP)C(C)C(C)C.
What is the InChIKey of N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine?
The InChIKey is CHLDORUFMZJTRI-ZFZICBQDSA-N. The full InChI is InChI=1S/C9H18NP/c1-7(2)8(3)9(10-4)5-6-11/h5-8H,11H2,1-4H3/b6-5?,10-9+.
What are the key properties of N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine?
N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine has a molecular weight of 171.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-1-phosphanylhex-1-en-3-imine is sourced from PubChem (CID 91385034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).