N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine

C15H27N — CID 146609918

IUPACN-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine
SMILESC=C/C=C(\N=C(/CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-9-11-13(15(6,7)8)16-12(10-2)14(3,4)5/h9,11H,1,10H2,2-8H3/b13-11-,16-12+
InChIKeyHQNBCGFCMCXYGL-FFKGAHPDSA-N
MW221.39 g/mol
LogP5.00
Rot. Bonds3

About N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine

N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine (PubChem CID 146609918) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine.

Molecular Properties

Compound NameN-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine
PubChem CID146609918
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine
SMILESC=C/C=C(\N=C(/CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H27N/c1-9-11-13(15(6,7)8)16-12(10-2)14(3,4)5/h9,11H,1,10H2,2-8H3/b13-11-,16-12+
InChIKeyHQNBCGFCMCXYGL-FFKGAHPDSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 55.00
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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Related Compounds

2,2-dimethyl-N-[(Z)-prop-1-enyl]pentan-3-imine
CID 155014494
N-[(5E)-4-ethyl-3,4,5-trimethylocta-5,7-dien-3-yl]methanimine
CID 137392045
ethane;(5Z)-3-N-ethenyl-4-ethyl-5-N-ethylidene-4-methylocta-1,5,7-triene-3,5-diimine
CID 144953908
N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-4-fluorohexa-1,3-diene
CID 88586520
N-[(2R,3E)-3-ethylhexa-3,5-dien-2-yl]methanimine
CID 130323388
(3E)-N-(methylideneamino)-N-tritylhexa-3,5-dien-3-amine
CID 166955496

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine?
The IUPAC name of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine (CID 146609918) is N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine.
What is the SMILES notation for N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine?
The canonical SMILES for N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine is C=C/C=C(\N=C(/CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine?
The InChIKey is HQNBCGFCMCXYGL-FFKGAHPDSA-N. The full InChI is InChI=1S/C15H27N/c1-9-11-13(15(6,7)8)16-12(10-2)14(3,4)5/h9,11H,1,10H2,2-8H3/b13-11-,16-12+.
What are the key properties of N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine?
N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine has a molecular weight of 221.39 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]-2,2-dimethylpentan-3-imine is sourced from PubChem (CID 146609918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).