2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide

C11H24N4O — CID 80504975

IUPAC2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C)CC1CN
InChIInChI=1S/C11H24N4O/c1-3-4-5-13-11(16)15-7-6-14(2)9-10(15)8-12/h10H,3-9,12H2,1-2H3,(H,13,16)
InChIKeyFUUVNPOMCKVLSF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.07
Rot. Bonds4

About 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide

2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide (PubChem CID 80504975) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
PubChem CID80504975
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C)CC1CN
InChIInChI=1S/C11H24N4O/c1-3-4-5-13-11(16)15-7-6-14(2)9-10(15)8-12/h10H,3-9,12H2,1-2H3,(H,13,16)
InChIKeyFUUVNPOMCKVLSF-UHFFFAOYSA-N
XLogP0.07
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-methyl-N-propylpiperazine-1-carboxamide
CID 80504793
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-pentylpropanamide
CID 80507138
2-(aminomethyl)-4-methylpiperazine-1-carboxylic acid
CID 70037623
2-(aminomethyl)-N-[4-(aminomethyl)cyclohexyl]-4-methylpiperazine-1-carboxamide
CID 167769557
N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
N-butylaziridine-1-carboxamide
CID 55206947
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-propoxypropan-1-one
CID 80505095
(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclobutylmethanone
CID 80505035
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]prop-2-en-1-one
CID 80504839
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide (CID 80504975) is 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide is CCCCNC(=O)N1CCN(C)CC1CN.
What is the InChIKey of 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide?
The InChIKey is FUUVNPOMCKVLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-4-5-13-11(16)15-7-6-14(2)9-10(15)8-12/h10H,3-9,12H2,1-2H3,(H,13,16).
What are the key properties of 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide?
2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butyl-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 80504975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).