(3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine

C14H25N — CID 131967160

IUPAC(3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine
SMILESC=C(C)/C(=C(C(\C)=N\C)/C(C)C)C(C)C
InChIInChI=1S/C14H25N/c1-9(2)13(10(3)4)14(11(5)6)12(7)15-8/h10-11H,1H2,2-8H3/b14-13+,15-12+
InChIKeyBHWFCQSZGHIPFX-RCQWFYMDSA-N
MW207.36 g/mol
LogP4.26
Rot. Bonds4

About (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine

(3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine (PubChem CID 131967160) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine
PubChem CID131967160
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine
SMILESC=C(C)/C(=C(C(\C)=N\C)/C(C)C)C(C)C
InChIInChI=1S/C14H25N/c1-9(2)13(10(3)4)14(11(5)6)12(7)15-8/h10-11H,1H2,2-8H3/b14-13+,15-12+
InChIKeyBHWFCQSZGHIPFX-RCQWFYMDSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.26
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 (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine (CID 131967160) is (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine is C=C(C)/C(=C(C(\C)=N\C)/C(C)C)C(C)C.
What is the InChIKey of (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine?
The InChIKey is BHWFCQSZGHIPFX-RCQWFYMDSA-N. The full InChI is InChI=1S/C14H25N/c1-9(2)13(10(3)4)14(11(5)6)12(7)15-8/h10-11H,1H2,2-8H3/b14-13+,15-12+.
What are the key properties of (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine?
(3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine has a molecular weight of 207.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,5-dimethyl-3,4-di(propan-2-yl)hexa-3,5-dien-2-imine is sourced from PubChem (CID 131967160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).