3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine

C13H29N3 — CID 61387216

IUPAC3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-4-6-14-7-5-8-15-9-11-16(12-10-15)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyASHXELSISNMDSG-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine

3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine (PubChem CID 61387216) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
PubChem CID61387216
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3/c1-4-6-14-7-5-8-15-9-11-16(12-10-15)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyASHXELSISNMDSG-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
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

N-(2-methoxyethyl)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 55087286
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 61386591
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
3-(4-ethyl-4-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63160587
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]heptan-2-amine
CID 62560602
O-methyl N-[3-(4-propan-2-ylpiperazin-1-yl)propyl]carbamothioate
CID 88678315
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
1-(4-propan-2-ylpiperazin-1-yl)heptan-4-one
CID 157204487

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine (CID 61387216) is 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine is CCCNCCCN1CCN(C(C)C)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine?
The InChIKey is ASHXELSISNMDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-6-14-7-5-8-15-9-11-16(12-10-15)13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine?
3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 61387216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).