N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine

C14H30N4 — CID 115255475

IUPACN,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
SMILESCC(CCN(C)C1CCN(C)C1)N1CCNCC1
InChIInChI=1S/C14H30N4/c1-13(18-10-6-15-7-11-18)4-9-17(3)14-5-8-16(2)12-14/h13-15H,4-12H2,1-3H3
InChIKeyVXBFUJVIJSGWCO-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.31
Rot. Bonds5

About N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine

N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine (PubChem CID 115255475) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
PubChem CID115255475
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine
SMILESCC(CCN(C)C1CCN(C)C1)N1CCNCC1
InChIInChI=1S/C14H30N4/c1-13(18-10-6-15-7-11-18)4-9-17(3)14-5-8-16(2)12-14/h13-15H,4-12H2,1-3H3
InChIKeyVXBFUJVIJSGWCO-UHFFFAOYSA-N
XLogP0.31
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255793
1-methyl-N-(3-piperazin-1-ylbutyl)piperidin-4-amine
CID 115255442
N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 115255719
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
N,1-dimethyl-N-(piperidin-4-ylmethyl)piperidin-3-amine
CID 62546416
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N,1-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]piperidin-3-amine
CID 115239598
N-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 115255504
N-methyl-N-(3-piperazin-1-ylbutyl)pyridin-3-amine
CID 115255466

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
The IUPAC name of N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine (CID 115255475) is N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine is CC(CCN(C)C1CCN(C)C1)N1CCNCC1.
What is the InChIKey of N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
The InChIKey is VXBFUJVIJSGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-13(18-10-6-15-7-11-18)4-9-17(3)14-5-8-16(2)12-14/h13-15H,4-12H2,1-3H3.
What are the key properties of N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine?
N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine has a molecular weight of 254.42 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(3-piperazin-1-ylbutyl)pyrrolidin-3-amine is sourced from PubChem (CID 115255475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).