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

C10H17N — CID 126494567

IUPACN-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C/C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-8-9(11-5)10(2,3)4/h6-8H,5H2,1-4H3/b7-6-,9-8-
InChIKeyROLVOIGOTVOPKM-JPDBVBESSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds2

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

N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine (PubChem CID 126494567) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
PubChem CID126494567
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C/C)C(C)(C)C
InChIInChI=1S/C10H17N/c1-6-7-8-9(11-5)10(2,3)4/h6-8H,5H2,1-4H3/b7-6-,9-8-
InChIKeyROLVOIGOTVOPKM-JPDBVBESSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.19
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

(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol
CID 144712771
(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 155138134
N-[(1E,3Z)-1-iodopenta-1,3-dienyl]methanimine
CID 163860981
N-(1-methoxyhexa-2,4-dien-2-yl)methanimine
CID 123372368
N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
CID 155337310
N-[(Z)-1-[amino(propan-2-yl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
CID 146213851
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
CID 164918182
[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene
CID 166987577
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
(4Z,6Z)-1-cyclopropyl-4-(methylideneamino)octa-4,6-dien-3-one
CID 146207254
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine (CID 126494567) is N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C/C)C(C)(C)C.
What is the InChIKey of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine?
The InChIKey is ROLVOIGOTVOPKM-JPDBVBESSA-N. The full InChI is InChI=1S/C10H17N/c1-6-7-8-9(11-5)10(2,3)4/h6-8H,5H2,1-4H3/b7-6-,9-8-.
What are the key properties of N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 2 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-dimethylhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 126494567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).