(2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine

C16H29N — CID 88941045

IUPAC(2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine
SMILESC/C=C\C(CCC1CC1)=C(/C)[C@@H](C)[C@@H](C)NC
InChIInChI=1S/C16H29N/c1-6-7-16(11-10-15-8-9-15)13(3)12(2)14(4)17-5/h6-7,12,14-15,17H,8-11H2,1-5H3/b7-6-,16-13-/t12-,14-/m1/s1
InChIKeyYLMWWDKOLKUALP-PSNIUUFGSA-N
MW235.41 g/mol
LogP4.31
Rot. Bonds7

About (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine

(2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine (PubChem CID 88941045) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine
PubChem CID88941045
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine
SMILESC/C=C\C(CCC1CC1)=C(/C)[C@@H](C)[C@@H](C)NC
InChIInChI=1S/C16H29N/c1-6-7-16(11-10-15-8-9-15)13(3)12(2)14(4)17-5/h6-7,12,14-15,17H,8-11H2,1-5H3/b7-6-,16-13-/t12-,14-/m1/s1
InChIKeyYLMWWDKOLKUALP-PSNIUUFGSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine with MolForge

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Related Compounds

Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
7-(3,6-Difluorocyclohexa-1,5-dien-1-yl)-2-hept-5-en-3-yl-4-methyl-1,2,3,10-tetrahydroazecine
CID 123154189
(2E,4E,6E,8E)-5-(cyclopropylmethyl)-2-ethenyl-N-ethyl-9-fluoro-3-methyl-6-[(Z)-prop-1-enyl]nona-2,4,6,8-tetraen-1-amine
CID 134594022
(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
CID 137390775
(1R)-1-[(1S,2R)-1-fluoro-2-[(Z)-pent-3-enyl]cyclopropyl]-N-methylethanamine
CID 137410330
1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine
CID 154966754
(5Z,6Z,8Z)-5-ethylidene-1-fluoro-N,3-dimethyldeca-6,8-dien-2-amine
CID 169596197
(3S,5S,7Z,9E)-1-N-ethyl-9-fluoro-5-methyl-6-methylidene-3-N-propan-2-ylundeca-7,9-diene-1,3-diamine
CID 169644117
(7E,11Z)-8-fluoro-N,5,14,17-tetramethyl-6,9,10,13-tetramethylidenenonadeca-7,11-dien-2-amine
CID 142281429
2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylcyclopropan-1-amine
CID 145139024
2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940470
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940473

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine?
The IUPAC name of (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine (CID 88941045) is (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine.
What is the SMILES notation for (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine?
The canonical SMILES for (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine is C/C=C\C(CCC1CC1)=C(/C)[C@@H](C)[C@@H](C)NC.
What is the InChIKey of (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine?
The InChIKey is YLMWWDKOLKUALP-PSNIUUFGSA-N. The full InChI is InChI=1S/C16H29N/c1-6-7-16(11-10-15-8-9-15)13(3)12(2)14(4)17-5/h6-7,12,14-15,17H,8-11H2,1-5H3/b7-6-,16-13-/t12-,14-/m1/s1.
What are the key properties of (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine?
(2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4E,6Z)-5-(2-cyclopropylethyl)-N,3,4-trimethylocta-4,6-dien-2-amine is sourced from PubChem (CID 88941045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).