N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine

C13H27N3 — CID 103070364

IUPACN-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27N3/c1-12(2)10-15-5-7-16(8-6-15)11-13(3)9-14-4/h12,14H,3,5-11H2,1-2,4H3
InChIKeyQABBAPZZAZTINH-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.04
Rot. Bonds6

About N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine

N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070364) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070364
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C13H27N3/c1-12(2)10-15-5-7-16(8-6-15)11-13(3)9-14-4/h12,14H,3,5-11H2,1-2,4H3
InChIKeyQABBAPZZAZTINH-UHFFFAOYSA-N
XLogP1.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine (CID 103070364) is N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine is C=C(CNC)CN1CCN(CC(C)C)CC1.
What is the InChIKey of N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is QABBAPZZAZTINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2)10-15-5-7-16(8-6-15)11-13(3)9-14-4/h12,14H,3,5-11H2,1-2,4H3.
What are the key properties of N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).