(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine

C16H27N — CID 123794453

IUPAC(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine
SMILESC=CC/N=C/C=C(\CCC1(C)CC1)CC(C)C
InChIInChI=1S/C16H27N/c1-5-11-17-12-7-15(13-14(2)3)6-8-16(4)9-10-16/h5,7,12,14H,1,6,8-11,13H2,2-4H3/b15-7+,17-12+
InChIKeyLYMSNKVUFLRYRR-HYYYZIJNSA-N
MW233.40 g/mol
LogP4.80
Rot. Bonds8

About (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine

(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine (PubChem CID 123794453) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine.

Molecular Properties

Compound Name(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine
PubChem CID123794453
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine
SMILESC=CC/N=C/C=C(\CCC1(C)CC1)CC(C)C
InChIInChI=1S/C16H27N/c1-5-11-17-12-7-15(13-14(2)3)6-8-16(4)9-10-16/h5,7,12,14H,1,6,8-11,13H2,2-4H3/b15-7+,17-12+
InChIKeyLYMSNKVUFLRYRR-HYYYZIJNSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.80
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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Related Compounds

(2Z,4E)-3-methyl-N-propyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dien-1-imine
CID 101718035
(2E,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 20839126
(2E,4E,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 21722405
N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 54548247
(2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 57703444
N-dec-9-enyl-1-[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methanimine
CID 59008587
(2E,4Z,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 59381630
(2E,4Z,6E,8E)-3,7-dimethyl-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 89206355
N-ethyl-2-[(2-propylcyclopropylidene)methyl]-3-(1,2,5-trimethylcyclooctyl)propan-1-imine
CID 91085247
(2E,4E,6E,8E)-N-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
CID 100913984
N-(2,7,10-triethyl-3,4,11-trimethyldodec-2-enyl)pent-2-en-1-imine
CID 123342308
(3,5-Diethyl-7,10-dimethyl-7-prop-1-enylundeca-2,8-dienylidene)-dimethylazanium
CID 123551976

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine?
The IUPAC name of (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine (CID 123794453) is (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine.
What is the SMILES notation for (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine?
The canonical SMILES for (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine is C=CC/N=C/C=C(\CCC1(C)CC1)CC(C)C.
What is the InChIKey of (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine?
The InChIKey is LYMSNKVUFLRYRR-HYYYZIJNSA-N. The full InChI is InChI=1S/C16H27N/c1-5-11-17-12-7-15(13-14(2)3)6-8-16(4)9-10-16/h5,7,12,14H,1,6,8-11,13H2,2-4H3/b15-7+,17-12+.
What are the key properties of (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine?
(E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine has a molecular weight of 233.40 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-3-[2-(1-methylcyclopropyl)ethyl]-N-prop-2-enylhex-2-en-1-imine is sourced from PubChem (CID 123794453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).