N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine

C13H23N — CID 146208626

IUPACN-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine
SMILESC=NC(C)(C)C(C)(C)C(=C)/C(C)=C\C
InChIInChI=1S/C13H23N/c1-9-10(2)11(3)12(4,5)13(6,7)14-8/h9H,3,8H2,1-2,4-7H3/b10-9-
InChIKeySKKFUVCYRFDRBU-KTKRTIGZSA-N
MW193.33 g/mol
LogP4.01
Rot. Bonds4

About N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine

N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine (PubChem CID 146208626) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine
PubChem CID146208626
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine
SMILESC=NC(C)(C)C(C)(C)C(=C)/C(C)=C\C
InChIInChI=1S/C13H23N/c1-9-10(2)11(3)12(4,5)13(6,7)14-8/h9H,3,8H2,1-2,4-7H3/b10-9-
InChIKeySKKFUVCYRFDRBU-KTKRTIGZSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine (CID 146208626) is N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine is C=NC(C)(C)C(C)(C)C(=C)/C(C)=C\C.
What is the InChIKey of N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine?
The InChIKey is SKKFUVCYRFDRBU-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H23N/c1-9-10(2)11(3)12(4,5)13(6,7)14-8/h9H,3,8H2,1-2,4-7H3/b10-9-.
What are the key properties of N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine?
N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine has a molecular weight of 193.33 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3,3,5-tetramethyl-4-methylidenehept-5-en-2-yl]methanimine is sourced from PubChem (CID 146208626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).