5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine

C16H29N — CID 167133745

IUPAC5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine
SMILESC=CC(CC)C(C)C(C)C(C)NC(=C)/C=C\C
InChIInChI=1S/C16H29N/c1-8-11-12(4)17-15(7)13(5)14(6)16(9-2)10-3/h8-9,11,13-17H,2,4,10H2,1,3,5-7H3/b11-8-
InChIKeyRQHCBHMMGXLFIC-FLIBITNWSA-N
MW235.41 g/mol
LogP4.54
Rot. Bonds8

About 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine

5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine (PubChem CID 167133745) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine.

Molecular Properties

Compound Name5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine
PubChem CID167133745
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine
SMILESC=CC(CC)C(C)C(C)C(C)NC(=C)/C=C\C
InChIInChI=1S/C16H29N/c1-8-11-12(4)17-15(7)13(5)14(6)16(9-2)10-3/h8-9,11,13-17H,2,4,10H2,1,3,5-7H3/b11-8-
InChIKeyRQHCBHMMGXLFIC-FLIBITNWSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine?
The IUPAC name of 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine (CID 167133745) is 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine.
What is the SMILES notation for 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine?
The canonical SMILES for 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine is C=CC(CC)C(C)C(C)C(C)NC(=C)/C=C\C.
What is the InChIKey of 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine?
The InChIKey is RQHCBHMMGXLFIC-FLIBITNWSA-N. The full InChI is InChI=1S/C16H29N/c1-8-11-12(4)17-15(7)13(5)14(6)16(9-2)10-3/h8-9,11,13-17H,2,4,10H2,1,3,5-7H3/b11-8-.
What are the key properties of 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine?
5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,4-dimethyl-N-[(3Z)-penta-1,3-dien-2-yl]hept-6-en-2-amine is sourced from PubChem (CID 167133745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).