N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine

C14H25N — CID 139315391

IUPACN-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C/CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-13(2,3)11-9-8-10-12(15-7)14(4,5)6/h8-10H,7,11H2,1-6H3/b9-8-,12-10-
InChIKeyKCDUMJARIKTIJH-DMGFJBLZSA-N
MW207.36 g/mol
LogP4.61
Rot. Bonds3

About N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine

N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine (PubChem CID 139315391) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine
PubChem CID139315391
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C/CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-13(2,3)11-9-8-10-12(15-7)14(4,5)6/h8-10H,7,11H2,1-6H3/b9-8-,12-10-
InChIKeyKCDUMJARIKTIJH-DMGFJBLZSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.61
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-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine (CID 139315391) is N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C/CC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine?
The InChIKey is KCDUMJARIKTIJH-DMGFJBLZSA-N. The full InChI is InChI=1S/C14H25N/c1-13(2,3)11-9-8-10-12(15-7)14(4,5)6/h8-10H,7,11H2,1-6H3/b9-8-,12-10-.
What are the key properties of N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine?
N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine has a molecular weight of 207.36 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5Z)-2,2,8,8-tetramethylnona-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 139315391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).