(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine

C10H21N3 — CID 80505747

IUPAC(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
SMILESC=CC(C)N1CCN(C)CC1CN
InChIInChI=1S/C10H21N3/c1-4-9(2)13-6-5-12(3)8-10(13)7-11/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeyRTNZCPROACEZNT-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.14
Rot. Bonds3

About (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine

(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine (PubChem CID 80505747) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
PubChem CID80505747
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
SMILESC=CC(C)N1CCN(C)CC1CN
InChIInChI=1S/C10H21N3/c1-4-9(2)13-6-5-12(3)8-10(13)7-11/h4,9-10H,1,5-8,11H2,2-3H3
InChIKeyRTNZCPROACEZNT-UHFFFAOYSA-N
XLogP0.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.14
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 (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine?
The IUPAC name of (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine (CID 80505747) is (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine?
The canonical SMILES for (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine is C=CC(C)N1CCN(C)CC1CN.
What is the InChIKey of (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine?
The InChIKey is RTNZCPROACEZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-9(2)13-6-5-12(3)8-10(13)7-11/h4,9-10H,1,5-8,11H2,2-3H3.
What are the key properties of (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine?
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine has a molecular weight of 183.30 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 80505747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).