N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine

C15H32N4 — CID 79541234

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCCN1CCN(C)CC1
InChIInChI=1S/C15H32N4/c1-14(13-15-5-3-6-17-15)16-7-4-8-19-11-9-18(2)10-12-19/h14-17H,3-13H2,1-2H3
InChIKeyYKSCOZMCPDCULY-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.74
Rot. Bonds7

About N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79541234) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79541234
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCC(CC1CCCN1)NCCCN1CCN(C)CC1
InChIInChI=1S/C15H32N4/c1-14(13-15-5-3-6-17-15)16-7-4-8-19-11-9-18(2)10-12-19/h14-17H,3-13H2,1-2H3
InChIKeyYKSCOZMCPDCULY-UHFFFAOYSA-N
XLogP0.74
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79539939
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541011
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pentan-1-amine
CID 79540929
1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine
CID 79541130
N-(3-imidazol-1-ylpropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541242
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
N-(2-cyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541627
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79541234) is N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine is CC(CC1CCCN1)NCCCN1CCN(C)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is YKSCOZMCPDCULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-14(13-15-5-3-6-17-15)16-7-4-8-19-11-9-18(2)10-12-19/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 268.45 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79541234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).