(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine

C17H30N2 — CID 89324964

IUPAC(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine
SMILESC=CCCC(=C\C)/C(=C/C(C)/C=C(\N)CN)C(C)C
InChIInChI=1S/C17H30N2/c1-6-8-9-15(7-2)17(13(3)4)11-14(5)10-16(19)12-18/h6-7,10-11,13-14H,1,8-9,12,18-19H2,2-5H3/b15-7+,16-10-,17-11+
InChIKeyBZLIUEDQTPALHC-RDDPGYGLSA-N
MW262.44 g/mol
LogP3.92
Rot. Bonds8

About (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine

(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine (PubChem CID 89324964) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine.

Molecular Properties

Compound Name(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine
PubChem CID89324964
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine
SMILESC=CCCC(=C\C)/C(=C/C(C)/C=C(\N)CN)C(C)C
InChIInChI=1S/C17H30N2/c1-6-8-9-15(7-2)17(13(3)4)11-14(5)10-16(19)12-18/h6-7,10-11,13-14H,1,8-9,12,18-19H2,2-5H3/b15-7+,16-10-,17-11+
InChIKeyBZLIUEDQTPALHC-RDDPGYGLSA-N
XLogP3.92
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine?
The IUPAC name of (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine (CID 89324964) is (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine.
What is the SMILES notation for (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine?
The canonical SMILES for (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine is C=CCCC(=C\C)/C(=C/C(C)/C=C(\N)CN)C(C)C.
What is the InChIKey of (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine?
The InChIKey is BZLIUEDQTPALHC-RDDPGYGLSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-9-15(7-2)17(13(3)4)11-14(5)10-16(19)12-18/h6-7,10-11,13-14H,1,8-9,12,18-19H2,2-5H3/b15-7+,16-10-,17-11+.
What are the key properties of (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine?
(2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,7E)-7-ethylidene-4-methyl-6-propan-2-ylundeca-2,5,10-triene-1,2-diamine is sourced from PubChem (CID 89324964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).