ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane

C17H39N — CID 143592187

IUPACethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane
SMILESC=C/C=C(\CC)CC(C)(C)N.CC.CC.CCC
InChIInChI=1S/C10H19N.C3H8.2C2H6/c1-5-7-9(6-2)8-10(3,4)11;1-3-2;2*1-2/h5,7H,1,6,8,11H2,2-4H3;3H2,1-2H3;2*1-2H3/b9-7+;;;
InChIKeyQLMKKTSHNAJUHB-UVUKSMQLSA-N
MW257.51 g/mol
LogP6.10
Rot. Bonds4

About ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane

ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane (PubChem CID 143592187) has the molecular formula C17H39N and a molecular weight of 257.51 g/mol. Its IUPAC name is ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane.

Molecular Properties

Compound Nameethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane
PubChem CID143592187
Molecular FormulaC17H39N
Molecular Weight257.51 g/mol
Exact Mass257.31
IUPAC Nameethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane
SMILESC=C/C=C(\CC)CC(C)(C)N.CC.CC.CCC
InChIInChI=1S/C10H19N.C3H8.2C2H6/c1-5-7-9(6-2)8-10(3,4)11;1-3-2;2*1-2/h5,7H,1,6,8,11H2,2-4H3;3H2,1-2H3;2*1-2H3/b9-7+;;;
InChIKeyQLMKKTSHNAJUHB-UVUKSMQLSA-N
XLogP6.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane?
The IUPAC name of ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane (CID 143592187) is ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane.
What is the SMILES notation for ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane?
The canonical SMILES for ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane is C=C/C=C(\CC)CC(C)(C)N.CC.CC.CCC.
What is the InChIKey of ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane?
The InChIKey is QLMKKTSHNAJUHB-UVUKSMQLSA-N. The full InChI is InChI=1S/C10H19N.C3H8.2C2H6/c1-5-7-9(6-2)8-10(3,4)11;1-3-2;2*1-2/h5,7H,1,6,8,11H2,2-4H3;3H2,1-2H3;2*1-2H3/b9-7+;;;.
What are the key properties of ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane?
ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane has a molecular weight of 257.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane is sourced from PubChem (CID 143592187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).