ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine

C15H30N2 — CID 143449322

IUPACethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C(\N=C/C)N(CCC)CCC.CC
InChIInChI=1S/C13H24N2.C2H6/c1-6-10-15(11-7-2)13(14-9-4)12(5)8-3;1-2/h8-9H,3,6-7,10-11H2,1-2,4-5H3;1-2H3/b13-12+,14-9-;
InChIKeyQBEINLBKIDJGKD-MTDYQGICSA-N
MW238.42 g/mol
LogP4.64
Rot. Bonds7

About ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine

ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine (PubChem CID 143449322) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
PubChem CID143449322
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Nameethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
SMILESC=C/C(C)=C(\N=C/C)N(CCC)CCC.CC
InChIInChI=1S/C13H24N2.C2H6/c1-6-10-15(11-7-2)13(14-9-4)12(5)8-3;1-2/h8-9H,3,6-7,10-11H2,1-2,4-5H3;1-2H3/b13-12+,14-9-;
InChIKeyQBEINLBKIDJGKD-MTDYQGICSA-N
XLogP4.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine (CID 143449322) is ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine is C=C/C(C)=C(\N=C/C)N(CCC)CCC.CC.
What is the InChIKey of ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
The InChIKey is QBEINLBKIDJGKD-MTDYQGICSA-N. The full InChI is InChI=1S/C13H24N2.C2H6/c1-6-10-15(11-7-2)13(14-9-4)12(5)8-3;1-2/h8-9H,3,6-7,10-11H2,1-2,4-5H3;1-2H3/b13-12+,14-9-;.
What are the key properties of ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine?
ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine has a molecular weight of 238.42 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine is sourced from PubChem (CID 143449322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).