2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine

C16H32N2O2 — CID 143236961

IUPAC2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine
SMILESCOCC/C(C)=C/C=C(\C)OCCCNC(C)(C)CN
InChIInChI=1S/C16H32N2O2/c1-14(9-12-19-5)7-8-15(2)20-11-6-10-18-16(3,4)13-17/h7-8,18H,6,9-13,17H2,1-5H3/b14-7+,15-8+
InChIKeyGINPGDQNTTUIIL-IROCBMIISA-N
MW284.44 g/mol
LogP2.61
Rot. Bonds11

About 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine

2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine (PubChem CID 143236961) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine
PubChem CID143236961
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine
SMILESCOCC/C(C)=C/C=C(\C)OCCCNC(C)(C)CN
InChIInChI=1S/C16H32N2O2/c1-14(9-12-19-5)7-8-15(2)20-11-6-10-18-16(3,4)13-17/h7-8,18H,6,9-13,17H2,1-5H3/b14-7+,15-8+
InChIKeyGINPGDQNTTUIIL-IROCBMIISA-N
XLogP2.61
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine;ethane;methoxyethane
CID 142989790
N,N'-dimethyl-N'-[3-[(3E)-6-methylhepta-3,5-dien-3-yl]oxypropyl]ethane-1,2-diamine
CID 142989791

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine (CID 143236961) is 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine is COCC/C(C)=C/C=C(\C)OCCCNC(C)(C)CN.
What is the InChIKey of 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine?
The InChIKey is GINPGDQNTTUIIL-IROCBMIISA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14(9-12-19-5)7-8-15(2)20-11-6-10-18-16(3,4)13-17/h7-8,18H,6,9-13,17H2,1-5H3/b14-7+,15-8+.
What are the key properties of 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine?
2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine has a molecular weight of 284.44 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[(2E,4E)-7-methoxy-5-methylhepta-2,4-dien-2-yl]oxypropyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 143236961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).