(E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine

C17H34N2 — CID 170408542

IUPAC(E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine
SMILESCCCN(CCC)CCCC/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C17H34N2/c1-7-12-19(13-8-2)14-10-9-11-16(5)17(6)18-15(3)4/h7-14H2,1-6H3/b17-16+
InChIKeyKISBJYVFGBUYIU-WUKNDPDISA-N
MW266.47 g/mol
LogP5.05
Rot. Bonds10

About (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine

(E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine (PubChem CID 170408542) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine.

Molecular Properties

Compound Name(E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine
PubChem CID170408542
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine
SMILESCCCN(CCC)CCCC/C(C)=C(\C)N=C(C)C
InChIInChI=1S/C17H34N2/c1-7-12-19(13-8-2)14-10-9-11-16(5)17(6)18-15(3)4/h7-14H2,1-6H3/b17-16+
InChIKeyKISBJYVFGBUYIU-WUKNDPDISA-N
XLogP5.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine?
The IUPAC name of (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine (CID 170408542) is (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine.
What is the SMILES notation for (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine?
The canonical SMILES for (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine is CCCN(CCC)CCCC/C(C)=C(\C)N=C(C)C.
What is the InChIKey of (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine?
The InChIKey is KISBJYVFGBUYIU-WUKNDPDISA-N. The full InChI is InChI=1S/C17H34N2/c1-7-12-19(13-8-2)14-10-9-11-16(5)17(6)18-15(3)4/h7-14H2,1-6H3/b17-16+.
What are the key properties of (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine?
(E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine has a molecular weight of 266.47 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyl-6-(propan-2-ylideneamino)-N,N-dipropylhept-5-en-1-amine is sourced from PubChem (CID 170408542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).