N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine

C17H29N — CID 90804137

IUPACN-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine
SMILESC=C=C1C(C)C1C/N=C(\CC)C(CC)CC(C)C
InChIInChI=1S/C17H29N/c1-7-14(10-12(4)5)17(9-3)18-11-16-13(6)15(16)8-2/h12-14,16H,2,7,9-11H2,1,3-6H3/b18-17+
InChIKeyMNHKZMFMHLXAIE-ISLYRVAYSA-N
MW247.43 g/mol
LogP4.89
Rot. Bonds7

About N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine

N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine (PubChem CID 90804137) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine.

Molecular Properties

Compound NameN-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine
PubChem CID90804137
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine
SMILESC=C=C1C(C)C1C/N=C(\CC)C(CC)CC(C)C
InChIInChI=1S/C17H29N/c1-7-14(10-12(4)5)17(9-3)18-11-16-13(6)15(16)8-2/h12-14,16H,2,7,9-11H2,1,3-6H3/b18-17+
InChIKeyMNHKZMFMHLXAIE-ISLYRVAYSA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine?
The IUPAC name of N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine (CID 90804137) is N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine.
What is the SMILES notation for N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine?
The canonical SMILES for N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine is C=C=C1C(C)C1C/N=C(\CC)C(CC)CC(C)C.
What is the InChIKey of N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine?
The InChIKey is MNHKZMFMHLXAIE-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-14(10-12(4)5)17(9-3)18-11-16-13(6)15(16)8-2/h12-14,16H,2,7,9-11H2,1,3-6H3/b18-17+.
What are the key properties of N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine?
N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine has a molecular weight of 247.43 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenylidene-3-methylcyclopropyl)methyl]-4-ethyl-6-methylheptan-3-imine is sourced from PubChem (CID 90804137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).