ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen

C15H35N3O — CID 142390438

IUPACethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen
SMILESC=C(C)NCCCOCCN1CCN(C)CC1.CC.[H][H]
InChIInChI=1S/C13H27N3O.C2H6.H2/c1-13(2)14-5-4-11-17-12-10-16-8-6-15(3)7-9-16;1-2;/h14H,1,4-12H2,2-3H3;1-2H3;1H
InChIKeyVUQMVJXMDURTNO-UHFFFAOYSA-N
MW273.46 g/mol
LogP2.04
Rot. Bonds8

About ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen

ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen (PubChem CID 142390438) has the molecular formula C15H35N3O and a molecular weight of 273.46 g/mol. Its IUPAC name is ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen
PubChem CID142390438
Molecular FormulaC15H35N3O
Molecular Weight273.46 g/mol
Exact Mass273.28
IUPAC Nameethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen
SMILESC=C(C)NCCCOCCN1CCN(C)CC1.CC.[H][H]
InChIInChI=1S/C13H27N3O.C2H6.H2/c1-13(2)14-5-4-11-17-12-10-16-8-6-15(3)7-9-16;1-2;/h14H,1,4-12H2,2-3H3;1-2H3;1H
InChIKeyVUQMVJXMDURTNO-UHFFFAOYSA-N
XLogP2.04
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)prop-1-en-1-amine
CID 57636132
N-methyl-5-morpholin-4-ylpent-1-en-2-amine
CID 58989736
(2R)-2-(prop-1-en-2-yloxymethyl)piperazine
CID 69215395
N-(2-morpholin-4-ylethyl)buta-1,3-dien-2-amine
CID 88867286
2-(2,6-Dimethylmorpholin-4-yl)prop-2-en-1-amine
CID 89074126
3-(3-Methylmorpholin-4-yl)prop-1-en-2-amine
CID 89294306
N-(2-morpholin-4-ylethyl)prop-1-en-2-amine
CID 90245659
4-[(6-Methyl-1,2,3,4-tetrahydropyrazin-2-yl)methyl]morpholine
CID 121257620
3-Methylidene-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 129134189
3-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylprop-1-en-2-amine
CID 135165133
3-morpholin-4-yl-N-prop-1-en-2-ylpropan-1-amine
CID 144154665
N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine
CID 144855148

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen?
The IUPAC name of ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen (CID 142390438) is ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen?
The canonical SMILES for ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen is C=C(C)NCCCOCCN1CCN(C)CC1.CC.[H][H].
What is the InChIKey of ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen?
The InChIKey is VUQMVJXMDURTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.C2H6.H2/c1-13(2)14-5-4-11-17-12-10-16-8-6-15(3)7-9-16;1-2;/h14H,1,4-12H2,2-3H3;1-2H3;1H.
What are the key properties of ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen?
ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen has a molecular weight of 273.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(4-methylpiperazin-1-yl)ethoxy]-N-prop-1-en-2-ylpropan-1-amine;molecular hydrogen is sourced from PubChem (CID 142390438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).