N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine

C14H25N — CID 91088958

IUPACN-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine
SMILESC=C(/C=N/C(=C)CCCC)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-7-8-9-13(3)15-11-12(2)10-14(4,5)6/h11H,2-3,7-10H2,1,4-6H3/b15-11+
InChIKeyWIMIVRYZEQWNAI-RVDMUPIBSA-N
MW207.36 g/mol
LogP4.75
Rot. Bonds6

About N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine

N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine (PubChem CID 91088958) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine.

Molecular Properties

Compound NameN-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine
PubChem CID91088958
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine
SMILESC=C(/C=N/C(=C)CCCC)CC(C)(C)C
InChIInChI=1S/C14H25N/c1-7-8-9-13(3)15-11-12(2)10-14(4,5)6/h11H,2-3,7-10H2,1,4-6H3/b15-11+
InChIKeyWIMIVRYZEQWNAI-RVDMUPIBSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4-dimethylpent-1-en-2-yl)-3-methyl-2-methylidenebutan-1-imine
CID 90884825
N-but-1-en-2-yl-2-methylidenepentan-1-imine
CID 90997151
3-methyl-2-methylidene-N-(3-methylpent-1-en-2-yl)butan-1-imine
CID 91075817
3-methyl-N-(4-methylhex-1-en-2-yl)-2-methylidenebutan-1-imine
CID 91286246
2-methylidene-N-pent-1-en-2-ylbutan-1-imine
CID 91303022
N-[(Z)-3,3-dimethyl-2-(methylideneamino)hex-1-enyl]ethanimine
CID 130346380
2-methyl-N-(4-methylpent-1-en-2-yl)prop-2-en-1-imine
CID 142369185
3,3-dimethyl-2-methylidene-N-prop-1-en-2-ylbutan-1-imine
CID 155737146
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenepentan-1-imine
CID 155737149
(Z)-N-(3,3-dimethylpent-1-en-2-yl)-2-ethylbut-2-en-1-imine
CID 156394857
N-(3,3-dimethylbut-1-en-2-yl)-3,3-dimethyl-2-methylidenebutan-1-imine
CID 166490126
N-but-1-en-2-yl-3,3-dimethyl-2-methylidenebutan-1-imine
CID 166775467

Frequently Asked Questions

What is the IUPAC name of N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine?
The IUPAC name of N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine (CID 91088958) is N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine.
What is the SMILES notation for N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine?
The canonical SMILES for N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine is C=C(/C=N/C(=C)CCCC)CC(C)(C)C.
What is the InChIKey of N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine?
The InChIKey is WIMIVRYZEQWNAI-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H25N/c1-7-8-9-13(3)15-11-12(2)10-14(4,5)6/h11H,2-3,7-10H2,1,4-6H3/b15-11+.
What are the key properties of N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine?
N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-en-2-yl-4,4-dimethyl-2-methylidenepentan-1-imine is sourced from PubChem (CID 91088958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).