(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine

C14H29NO2 — CID 134580034

IUPAC(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine
SMILESC/C=C/CCN(CCC)CCCC(OC)OC
InChIInChI=1S/C14H29NO2/c1-5-7-8-12-15(11-6-2)13-9-10-14(16-3)17-4/h5,7,14H,6,8-13H2,1-4H3/b7-5+
InChIKeySFDZNGPNTMGIQB-FNORWQNLSA-N
MW243.39 g/mol
LogP3.06
Rot. Bonds11

About (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine

(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine (PubChem CID 134580034) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine
PubChem CID134580034
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine
SMILESC/C=C/CCN(CCC)CCCC(OC)OC
InChIInChI=1S/C14H29NO2/c1-5-7-8-12-15(11-6-2)13-9-10-14(16-3)17-4/h5,7,14H,6,8-13H2,1-4H3/b7-5+
InChIKeySFDZNGPNTMGIQB-FNORWQNLSA-N
XLogP3.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine?
The IUPAC name of (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine (CID 134580034) is (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine?
The canonical SMILES for (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine is C/C=C/CCN(CCC)CCCC(OC)OC.
What is the InChIKey of (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine?
The InChIKey is SFDZNGPNTMGIQB-FNORWQNLSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-7-8-12-15(11-6-2)13-9-10-14(16-3)17-4/h5,7,14H,6,8-13H2,1-4H3/b7-5+.
What are the key properties of (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine?
(E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.06, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,4-dimethoxybutyl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 134580034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).