2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine

C15H32N4 — CID 103070382

IUPAC2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H32N4/c1-14(2)16-12-15(3)13-19-10-8-18(9-11-19)7-6-17(4)5/h14,16H,3,6-13H2,1-2,4-5H3
InChIKeyREGDLBAFMHZJAO-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.72
Rot. Bonds8

About 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine

2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103070382) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103070382
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H32N4/c1-14(2)16-12-15(3)13-19-10-8-18(9-11-19)7-6-17(4)5/h14,16H,3,6-13H2,1-2,4-5H3
InChIKeyREGDLBAFMHZJAO-UHFFFAOYSA-N
XLogP0.72
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068829
2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068857
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070395
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62888034
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106746001
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103070382) is 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is REGDLBAFMHZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-14(2)16-12-15(3)13-19-10-8-18(9-11-19)7-6-17(4)5/h14,16H,3,6-13H2,1-2,4-5H3.
What are the key properties of 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 268.45 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103070382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).