N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine

C14H27N — CID 155056646

IUPACN-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine
SMILESCC/N=C(\C)C(CCC(C)(C)C)=C(C)C
InChIInChI=1S/C14H27N/c1-8-15-12(4)13(11(2)3)9-10-14(5,6)7/h8-10H2,1-7H3/b15-12+
InChIKeyFOMWNXWRQDRNBF-NTCAYCPXSA-N
MW209.38 g/mol
LogP4.63
Rot. Bonds4

About N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine

N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine (PubChem CID 155056646) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine.

Molecular Properties

Compound NameN-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine
PubChem CID155056646
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine
SMILESCC/N=C(\C)C(CCC(C)(C)C)=C(C)C
InChIInChI=1S/C14H27N/c1-8-15-12(4)13(11(2)3)9-10-14(5,6)7/h8-10H2,1-7H3/b15-12+
InChIKeyFOMWNXWRQDRNBF-NTCAYCPXSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.63
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-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine?
The IUPAC name of N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine (CID 155056646) is N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine.
What is the SMILES notation for N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine?
The canonical SMILES for N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine is CC/N=C(\C)C(CCC(C)(C)C)=C(C)C.
What is the InChIKey of N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine?
The InChIKey is FOMWNXWRQDRNBF-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H27N/c1-8-15-12(4)13(11(2)3)9-10-14(5,6)7/h8-10H2,1-7H3/b15-12+.
What are the key properties of N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine?
N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine has a molecular weight of 209.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6-dimethyl-3-propan-2-ylideneheptan-2-imine is sourced from PubChem (CID 155056646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).