N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine

C11H20N2 — CID 130346380

IUPACN-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine
SMILESC=N/C(=C\N=C\C)C(C)(C)CCC
InChIInChI=1S/C11H20N2/c1-6-8-11(3,4)10(12-5)9-13-7-2/h7,9H,5-6,8H2,1-4H3/b10-9-,13-7+
InChIKeyPWACLFOKUMTSLV-QLNUPNCESA-N
MW180.29 g/mol
LogP3.45
Rot. Bonds5

About N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine

N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine (PubChem CID 130346380) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine
PubChem CID130346380
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine
SMILESC=N/C(=C\N=C\C)C(C)(C)CCC
InChIInChI=1S/C11H20N2/c1-6-8-11(3,4)10(12-5)9-13-7-2/h7,9H,5-6,8H2,1-4H3/b10-9-,13-7+
InChIKeyPWACLFOKUMTSLV-QLNUPNCESA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine
CID 91088958
N-[(Z)-4,4-dimethyl-2-(methylideneamino)pent-1-enyl]-4,4-dimethylpentan-2-imine
CID 139483770
N-[(Z)-3,3-dimethyl-2-(methylideneamino)pent-1-enyl]methanimine
CID 142471535
(Z)-3-ethyl-3-methyl-1-(2-methylpropylideneamino)pent-1-en-2-amine
CID 144695951
2,7-Diethyl-6,6-dimethyl-1,4-diazepine
CID 169251712
3-Ethyl-3-methyl-5-methyliminopent-1-en-2-amine
CID 169697510
6-methyl-2-(4-methylheptan-4-yl)-6H-1,4-diazepine
CID 174268156
N-(3,3-dimethylhex-1-en-2-yl)ethanimine
CID 176977805

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine (CID 130346380) is N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine is C=N/C(=C\N=C\C)C(C)(C)CCC.
What is the InChIKey of N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine?
The InChIKey is PWACLFOKUMTSLV-QLNUPNCESA-N. The full InChI is InChI=1S/C11H20N2/c1-6-8-11(3,4)10(12-5)9-13-7-2/h7,9H,5-6,8H2,1-4H3/b10-9-,13-7+.
What are the key properties of N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine?
N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine has a molecular weight of 180.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine is sourced from PubChem (CID 130346380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).