N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine

C13H25NO3 — CID 168959920

IUPACN-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine
SMILESC#CCOCCOCCOCCN(C)CCC
InChIInChI=1S/C13H25NO3/c1-4-6-14(3)7-9-16-11-13-17-12-10-15-8-5-2/h2H,4,6-13H2,1,3H3
InChIKeyOJQMLZQJDHSSRX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.01
Rot. Bonds12

About N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine

N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 168959920) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine
PubChem CID168959920
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine
SMILESC#CCOCCOCCOCCN(C)CCC
InChIInChI=1S/C13H25NO3/c1-4-6-14(3)7-9-16-11-13-17-12-10-15-8-5-2/h2H,4,6-13H2,1,3H3
InChIKeyOJQMLZQJDHSSRX-UHFFFAOYSA-N
XLogP1.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-prop-2-ynoxyethoxy)-N-[2-(2-prop-2-ynoxyethoxy)ethyl]ethanamine
CID 102514803
3-[methyl-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanenitrile
CID 146231125
N-propyl-N-(2-prop-2-ynoxyethyl)butan-1-amine
CID 88915185
1-[2-[2-[methyl(propyl)amino]ethoxy]ethoxy]propan-2-one
CID 134579713
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N-methylpropan-1-amine
CID 155751833
3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne
CID 91809458
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
1-[2-(2-prop-2-ynoxyethoxy)ethoxy]undec-2-yne
CID 10517912
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine (CID 168959920) is N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine is C#CCOCCOCCOCCN(C)CCC.
What is the InChIKey of N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is OJQMLZQJDHSSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-14(3)7-9-16-11-13-17-12-10-15-8-5-2/h2H,4,6-13H2,1,3H3.
What are the key properties of N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine?
N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 1.01, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 168959920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).