N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine

C15H31NO5 — CID 140908036

IUPACN-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCCO/C=C/COCCOCCOCCOCCNC
InChIInChI=1S/C15H31NO5/c1-3-6-17-7-4-8-18-10-12-20-14-15-21-13-11-19-9-5-16-2/h4,7,16H,3,5-6,8-15H2,1-2H3/b7-4+
InChIKeyPZWJMHWPABXZMX-QPJJXVBHSA-N
MW305.41 g/mol
LogP1.21
Rot. Bonds17

About N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine

N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 140908036) has the molecular formula C15H31NO5 and a molecular weight of 305.41 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID140908036
Molecular FormulaC15H31NO5
Molecular Weight305.41 g/mol
Exact Mass305.22
IUPAC NameN-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCCCO/C=C/COCCOCCOCCOCCNC
InChIInChI=1S/C15H31NO5/c1-3-6-17-7-4-8-18-10-12-20-14-15-21-13-11-19-9-5-16-2/h4,7,16H,3,5-6,8-15H2,1-2H3/b7-4+
InChIKeyPZWJMHWPABXZMX-QPJJXVBHSA-N
XLogP1.21
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bis-(2-allyloxy-ethyl)-amine
CID 22899057
2-(2-prop-2-enoxyethoxy)-N-[2-(2-prop-2-enoxyethoxy)ethyl]ethanamine
CID 53686082
1,4,10,13-Tetraoxa-7-azacycloheptadec-15-ene
CID 54095916
Bis(2-prop-2-enoxyethyl)azanium
CID 57895943
(15Z)-1,4,10,13-tetraoxa-7-azacycloheptadec-15-ene
CID 59920282
(15Z)-1,4,10,13-tetraoxa-7-azoniacycloheptadec-15-ene
CID 59920285
N-methyl-2-[2-(2-methylprop-2-enoxy)ethoxy]ethanamine
CID 88262803
Bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene
CID 91132974
3,6,9,12,15-Pentaoxaoctadec-17-en-1-amine
CID 126584605
2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine
CID 134351983
2-[2-[2-(2-Prop-1-enoxyethoxy)ethoxy]ethoxy]ethanamine
CID 140159100
2-[2-[2-[2-[2-(2-Prop-1-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 140159147

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 140908036) is N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine is CCCO/C=C/COCCOCCOCCOCCNC.
What is the InChIKey of N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is PZWJMHWPABXZMX-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H31NO5/c1-3-6-17-7-4-8-18-10-12-20-14-15-21-13-11-19-9-5-16-2/h4,7,16H,3,5-6,8-15H2,1-2H3/b7-4+.
What are the key properties of N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine?
N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 305.41 g/mol, XLogP of 1.21, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[2-[(E)-3-propoxyprop-2-enoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 140908036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).