(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine

C15H31NO — CID 167281240

IUPAC(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine
SMILESCC/C=C(\CC)CCCN(CC)CCCOC
InChIInChI=1S/C15H31NO/c1-5-10-15(6-2)11-8-12-16(7-3)13-9-14-17-4/h10H,5-9,11-14H2,1-4H3/b15-10+
InChIKeyBEKVYCCXTPZQDH-XNTDXEJSSA-N
MW241.42 g/mol
LogP3.87
Rot. Bonds11

About (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine

(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine (PubChem CID 167281240) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine.

Molecular Properties

Compound Name(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine
PubChem CID167281240
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine
SMILESCC/C=C(\CC)CCCN(CC)CCCOC
InChIInChI=1S/C15H31NO/c1-5-10-15(6-2)11-8-12-16(7-3)13-9-14-17-4/h10H,5-9,11-14H2,1-4H3/b15-10+
InChIKeyBEKVYCCXTPZQDH-XNTDXEJSSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine?
The IUPAC name of (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine (CID 167281240) is (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine.
What is the SMILES notation for (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine?
The canonical SMILES for (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine is CC/C=C(\CC)CCCN(CC)CCCOC.
What is the InChIKey of (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine?
The InChIKey is BEKVYCCXTPZQDH-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-10-15(6-2)11-8-12-16(7-3)13-9-14-17-4/h10H,5-9,11-14H2,1-4H3/b15-10+.
What are the key properties of (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine?
(E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.87, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-diethyl-N-(3-methoxypropyl)hept-4-en-1-amine is sourced from PubChem (CID 167281240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).