1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine

C17H29N — CID 123408585

IUPAC1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine
SMILESC=CC/N=C(\CCC(=C)C(C)(C)C)C1(CC)CC1
InChIInChI=1S/C17H29N/c1-7-13-18-15(17(8-2)11-12-17)10-9-14(3)16(4,5)6/h7H,1,3,8-13H2,2,4-6H3/b18-15+
InChIKeyPBUGVCMAJHSAOH-OBGWFSINSA-N
MW247.43 g/mol
LogP5.19
Rot. Bonds7

About 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine

1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine (PubChem CID 123408585) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine.

Molecular Properties

Compound Name1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine
PubChem CID123408585
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine
SMILESC=CC/N=C(\CCC(=C)C(C)(C)C)C1(CC)CC1
InChIInChI=1S/C17H29N/c1-7-13-18-15(17(8-2)11-12-17)10-9-14(3)16(4,5)6/h7H,1,3,8-13H2,2,4-6H3/b18-15+
InChIKeyPBUGVCMAJHSAOH-OBGWFSINSA-N
XLogP5.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine?
The IUPAC name of 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine (CID 123408585) is 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine.
What is the SMILES notation for 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine?
The canonical SMILES for 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine is C=CC/N=C(\CCC(=C)C(C)(C)C)C1(CC)CC1.
What is the InChIKey of 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine?
The InChIKey is PBUGVCMAJHSAOH-OBGWFSINSA-N. The full InChI is InChI=1S/C17H29N/c1-7-13-18-15(17(8-2)11-12-17)10-9-14(3)16(4,5)6/h7H,1,3,8-13H2,2,4-6H3/b18-15+.
What are the key properties of 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine?
1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine is sourced from PubChem (CID 123408585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).