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

C17H37N3 — CID 62776591

IUPAC2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C17H37N3/c1-6-8-18-14-17(5,7-2)15-20-11-9-19(10-12-20)13-16(3)4/h16,18H,6-15H2,1-5H3
InChIKeyAQIRDEQOLIAIBK-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.68
Rot. Bonds9

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

2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine (PubChem CID 62776591) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
PubChem CID62776591
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)CN1CCN(CC(C)C)CC1
InChIInChI=1S/C17H37N3/c1-6-8-18-14-17(5,7-2)15-20-11-9-19(10-12-20)13-16(3)4/h16,18H,6-15H2,1-5H3
InChIKeyAQIRDEQOLIAIBK-UHFFFAOYSA-N
XLogP2.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-N-propylbutan-1-amine
CID 62263159
2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
CID 82690867
N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62777636
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pentan-1-ol
CID 62777293
3,3-dimethyl-1-[4-(2-methylpropyl)piperazin-1-yl]-N-propylbutan-2-amine
CID 62778148
3-methyl-1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-ol
CID 114681883
2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine
CID 62968299
2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258815
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510
N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine (CID 62776591) is 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine is CCCNCC(C)(CC)CN1CCN(CC(C)C)CC1.
What is the InChIKey of 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine?
The InChIKey is AQIRDEQOLIAIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-8-18-14-17(5,7-2)15-20-11-9-19(10-12-20)13-16(3)4/h16,18H,6-15H2,1-5H3.
What are the key properties of 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine?
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 62776591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).