(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine

C17H27N — CID 89067155

IUPAC(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine
SMILESC=C/C(=C\C=C(/CCCC)NCC)C1=C(CC)C1
InChIInChI=1S/C17H27N/c1-5-9-10-16(18-8-4)12-11-14(6-2)17-13-15(17)7-3/h6,11-12,18H,2,5,7-10,13H2,1,3-4H3/b14-11+,16-12+
InChIKeyDEBPZOJOXWGNTO-MHMBTURYSA-N
MW245.41 g/mol
LogP4.89
Rot. Bonds9

About (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine

(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine (PubChem CID 89067155) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine.

Molecular Properties

Compound Name(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine
PubChem CID89067155
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine
SMILESC=C/C(=C\C=C(/CCCC)NCC)C1=C(CC)C1
InChIInChI=1S/C17H27N/c1-5-9-10-16(18-8-4)12-11-14(6-2)17-13-15(17)7-3/h6,11-12,18H,2,5,7-10,13H2,1,3-4H3/b14-11+,16-12+
InChIKeyDEBPZOJOXWGNTO-MHMBTURYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 155062495
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
CID 156821650
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(3Z)-1-N-[(4Z,6Z,10Z,12Z)-4-ethylidene-8-methylidene-12-(trifluoromethyl)hexadeca-6,10,12-trienyl]-7-N-propylocta-3,7-diene-1,7-diamine
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Frequently Asked Questions

What is the IUPAC name of (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine?
The IUPAC name of (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine (CID 89067155) is (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine.
What is the SMILES notation for (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine?
The canonical SMILES for (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine is C=C/C(=C\C=C(/CCCC)NCC)C1=C(CC)C1.
What is the InChIKey of (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine?
The InChIKey is DEBPZOJOXWGNTO-MHMBTURYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-9-10-16(18-8-4)12-11-14(6-2)17-13-15(17)7-3/h6,11-12,18H,2,5,7-10,13H2,1,3-4H3/b14-11+,16-12+.
What are the key properties of (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine?
(5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine has a molecular weight of 245.41 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-N-ethyl-8-(2-ethylcyclopropen-1-yl)deca-5,7,9-trien-5-amine is sourced from PubChem (CID 89067155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).