N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine

C14H27N — CID 170380691

IUPACN-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine
SMILESCC/C=C(\N=C(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-9-10-12(15-11(2)3)14(7,8)13(4,5)6/h10H,9H2,1-8H3/b12-10-
InChIKeyOBOUUUZDKFDJDB-BENRWUELSA-N
MW209.38 g/mol
LogP4.83
Rot. Bonds3

About N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine

N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine (PubChem CID 170380691) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine
PubChem CID170380691
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine
SMILESCC/C=C(\N=C(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C14H27N/c1-9-10-12(15-11(2)3)14(7,8)13(4,5)6/h10H,9H2,1-8H3/b12-10-
InChIKeyOBOUUUZDKFDJDB-BENRWUELSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine?
The IUPAC name of N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine (CID 170380691) is N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine.
What is the SMILES notation for N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine?
The canonical SMILES for N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine is CC/C=C(\N=C(C)C)C(C)(C)C(C)(C)C.
What is the InChIKey of N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine?
The InChIKey is OBOUUUZDKFDJDB-BENRWUELSA-N. The full InChI is InChI=1S/C14H27N/c1-9-10-12(15-11(2)3)14(7,8)13(4,5)6/h10H,9H2,1-8H3/b12-10-.
What are the key properties of N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine?
N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5,5,6,6-tetramethylhept-3-en-4-yl]propan-2-imine is sourced from PubChem (CID 170380691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).