[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine

C15H32N4 — CID 114537561

IUPAC[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CC(C)N(C)C(C)C2)C1
InChIInChI=1S/C15H32N4/c1-12(2)18-7-6-15(10-16,11-18)19-8-13(3)17(5)14(4)9-19/h12-14H,6-11,16H2,1-5H3
InChIKeyYEBYTYJRPQCPAK-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.82
Rot. Bonds3

About [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine

[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 114537561) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID114537561
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CC(C)N(C)C(C)C2)C1
InChIInChI=1S/C15H32N4/c1-12(2)18-7-6-15(10-16,11-18)19-8-13(3)17(5)14(4)9-19/h12-14H,6-11,16H2,1-5H3
InChIKeyYEBYTYJRPQCPAK-UHFFFAOYSA-N
XLogP0.82
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-4-(3,4,5-trimethylpiperazin-1-yl)azepan-4-yl]methanamine
CID 114537563
[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 62937205
[1-propan-2-yl-3-(4-propylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62199436
[8-(3,4,5-trimethylpiperazin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818266
[1-methyl-3-(4-propan-2-ylpiperazin-1-yl)pyrrolidin-3-yl]methanamine
CID 62977681
[3-ethyl-1-(3,4,5-trimethylpiperazin-1-yl)cyclopentyl]methanamine
CID 114537628
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
[4-(2,4-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 55062043
[4-(3-methoxypyrrolidin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 103531579
[4-(4-methyl-1,4-diazepan-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 28745310
1-[4-(aminomethyl)-1-propan-2-ylazepan-4-yl]-N,N-dimethylpiperidin-4-amine
CID 65078068
[4-(4,4-dimethylazepan-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65283742

Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine (CID 114537561) is [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine is CC(C)N1CCC(CN)(N2CC(C)N(C)C(C)C2)C1.
What is the InChIKey of [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is YEBYTYJRPQCPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-12(2)18-7-6-15(10-16,11-18)19-8-13(3)17(5)14(4)9-19/h12-14H,6-11,16H2,1-5H3.
What are the key properties of [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine?
[1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 268.45 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-3-(3,4,5-trimethylpiperazin-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114537561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).