2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine

C17H37N3 — CID 63343718

IUPAC2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine
SMILESCCCCCCCCCN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C17H37N3/c1-4-5-6-7-8-9-10-11-19-12-14-20(15-13-19)17(2,3)16-18/h4-16,18H2,1-3H3
InChIKeySRUUPXFLPGQMTM-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.09
Rot. Bonds10

About 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine

2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine (PubChem CID 63343718) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine
PubChem CID63343718
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine
SMILESCCCCCCCCCN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C17H37N3/c1-4-5-6-7-8-9-10-11-19-12-14-20(15-13-19)17(2,3)16-18/h4-16,18H2,1-3H3
InChIKeySRUUPXFLPGQMTM-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 9161367
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
2-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-amine
CID 63344155
1-ethyl-4-heptylpiperazine
CID 21399221
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
1-ethyl-4-undecylpiperazine
CID 21399231
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107214071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine (CID 63343718) is 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine is CCCCCCCCCN1CCN(C(C)(C)CN)CC1.
What is the InChIKey of 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine?
The InChIKey is SRUUPXFLPGQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-4-5-6-7-8-9-10-11-19-12-14-20(15-13-19)17(2,3)16-18/h4-16,18H2,1-3H3.
What are the key properties of 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine?
2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 63343718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).