3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine

C15H28N4 — CID 115255592

IUPAC3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine
SMILESCC(C)(CCNCCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C15H28N4/c1-15(2,19-12-10-17-11-13-19)6-9-16-8-5-14-4-3-7-18-14/h3-4,7,16-18H,5-6,8-13H2,1-2H3
InChIKeyGCFULDOKOFJBTD-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.22
Rot. Bonds7

About 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine

3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine (PubChem CID 115255592) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine
PubChem CID115255592
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine
SMILESCC(C)(CCNCCc1ccc[nH]1)N1CCNCC1
InChIInChI=1S/C15H28N4/c1-15(2,19-12-10-17-11-13-19)6-9-16-8-5-14-4-3-7-18-14/h3-4,7,16-18H,5-6,8-13H2,1-2H3
InChIKeyGCFULDOKOFJBTD-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
2-methyl-2-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 115255841
3-methyl-3-piperazin-1-yl-N-(1H-pyrrol-2-ylmethyl)butanamide
CID 115189200
N-(2-chloroethyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 115215062
N-(3-methyl-3-piperazin-1-ylbutyl)pyridin-4-amine
CID 115255549
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propan-1-amine
CID 115215842
3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115134941
4-[2-(1H-pyrrol-2-yl)ethylamino]butan-2-one
CID 115235928
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115166553
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
CID 83635683
1-[2-methyl-1-(4-methylphenyl)sulfanylpropan-2-yl]piperazine
CID 117035736

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine (CID 115255592) is 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine is CC(C)(CCNCCc1ccc[nH]1)N1CCNCC1.
What is the InChIKey of 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine?
The InChIKey is GCFULDOKOFJBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-15(2,19-12-10-17-11-13-19)6-9-16-8-5-14-4-3-7-18-14/h3-4,7,16-18H,5-6,8-13H2,1-2H3.
What are the key properties of 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine?
3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 115255592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).