ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine

C13H26N2 — CID 153372799

IUPACethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/C)N(CC)CCC.CC
InChIInChI=1S/C11H20N2.C2H6/c1-5-8-9-11(12-4)13(7-3)10-6-2;1-2/h5,8-9H,4,6-7,10H2,1-3H3;1-2H3/b8-5-,11-9+;
InChIKeyFGGXTYKPGRTESN-UVRKQXKUSA-N
MW210.36 g/mol
LogP3.86
Rot. Bonds6

About ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine

ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine (PubChem CID 153372799) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine
PubChem CID153372799
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine
SMILESC=N/C(=C\C=C/C)N(CC)CCC.CC
InChIInChI=1S/C11H20N2.C2H6/c1-5-8-9-11(12-4)13(7-3)10-6-2;1-2/h5,8-9H,4,6-7,10H2,1-3H3;1-2H3/b8-5-,11-9+;
InChIKeyFGGXTYKPGRTESN-UVRKQXKUSA-N
XLogP3.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.86
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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Related Compounds

(1E)-N-ethyl-2-fluoro-1-(methylideneamino)-N-propylbuta-1,3-dien-1-amine
CID 145614067
1-methyl-N,N-dipropyl-2H-pyridin-6-amine
CID 56612432
N-(1-propyl-2H-pyridin-6-yl)methanimine
CID 67094195
N-(1-ethyl-2H-pyridin-6-yl)methanimine
CID 68517921
N-(1-prop-2-enyl-2H-pyridin-6-yl)methanimine
CID 69239175
N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 123871731
(Z)-N-methyl-N-[1-(methylideneamino)ethyl]but-2-en-2-amine
CID 139472691
(1Z)-N-methyl-1-(methylideneamino)-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142451889
N,N-dipropyl-1-azacyclohepta-2,3,5,7-tetraen-2-amine
CID 144149916
N-[(1Z,3Z)-1-piperidin-1-ylpenta-1,3-dienyl]methanimine
CID 144281614
N-[(1Z,3Z)-1-(4-methylpiperazin-1-yl)penta-1,3-dienyl]methanimine
CID 144895565
N-[(1Z,3Z)-1-(azetidin-1-yl)penta-1,3-dienyl]methanimine
CID 162385871

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine (CID 153372799) is ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine is C=N/C(=C\C=C/C)N(CC)CCC.CC.
What is the InChIKey of ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine?
The InChIKey is FGGXTYKPGRTESN-UVRKQXKUSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-5-8-9-11(12-4)13(7-3)10-6-2;1-2/h5,8-9H,4,6-7,10H2,1-3H3;1-2H3/b8-5-,11-9+;.
What are the key properties of ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine?
ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine has a molecular weight of 210.36 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3Z)-N-ethyl-1-(methylideneamino)-N-propylpenta-1,3-dien-1-amine is sourced from PubChem (CID 153372799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).