(2E)-penta-2,4-dien-2-amine;propane

C8H17N — CID 143277472

IUPAC(2E)-penta-2,4-dien-2-amine;propane
SMILESC=C/C=C(\C)N.CCC
InChIInChI=1S/C5H9N.C3H8/c1-3-4-5(2)6;1-3-2/h3-4H,1,6H2,2H3;3H2,1-2H3/b5-4+;
InChIKeyRTYNEFVBWCPEQW-FXRZFVDSSA-N
MW127.23 g/mol
LogP2.45
Rot. Bonds1

About (2E)-penta-2,4-dien-2-amine;propane

(2E)-penta-2,4-dien-2-amine;propane (PubChem CID 143277472) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (2E)-penta-2,4-dien-2-amine;propane.

Molecular Properties

Compound Name(2E)-penta-2,4-dien-2-amine;propane
PubChem CID143277472
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(2E)-penta-2,4-dien-2-amine;propane
SMILESC=C/C=C(\C)N.CCC
InChIInChI=1S/C5H9N.C3H8/c1-3-4-5(2)6;1-3-2/h3-4H,1,6H2,2H3;3H2,1-2H3/b5-4+;
InChIKeyRTYNEFVBWCPEQW-FXRZFVDSSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.45
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

1,1-diethoxybuta-1,3-diene
CID 19609197
(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
(Z)-but-2-en-2-amine;ethane;ethenamine
CID 143379680
but-1-ene;propane;propan-2-imine
CID 142132496
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
(2E,4E)-2-ethenylhexa-2,4-diene-1,5-diamine
CID 155051577
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
(3Z)-4-ethylsulfanylpenta-1,3-diene
CID 143409580
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349

Frequently Asked Questions

What is the IUPAC name of (2E)-penta-2,4-dien-2-amine;propane?
The IUPAC name of (2E)-penta-2,4-dien-2-amine;propane (CID 143277472) is (2E)-penta-2,4-dien-2-amine;propane.
What is the SMILES notation for (2E)-penta-2,4-dien-2-amine;propane?
The canonical SMILES for (2E)-penta-2,4-dien-2-amine;propane is C=C/C=C(\C)N.CCC.
What is the InChIKey of (2E)-penta-2,4-dien-2-amine;propane?
The InChIKey is RTYNEFVBWCPEQW-FXRZFVDSSA-N. The full InChI is InChI=1S/C5H9N.C3H8/c1-3-4-5(2)6;1-3-2/h3-4H,1,6H2,2H3;3H2,1-2H3/b5-4+;.
What are the key properties of (2E)-penta-2,4-dien-2-amine;propane?
(2E)-penta-2,4-dien-2-amine;propane has a molecular weight of 127.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-penta-2,4-dien-2-amine;propane is sourced from PubChem (CID 143277472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).