[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine

C21H34N4 — CID 112742858

IUPAC[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(CC3CC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H34N4/c1-18-13-21(16-22,17-24(18)15-19-5-3-2-4-6-19)25-11-9-23(10-12-25)14-20-7-8-20/h2-6,18,20H,7-17,22H2,1H3
InChIKeyJGRNSCZWMKRBJE-UHFFFAOYSA-N
MW342.53 g/mol
LogP2.01
Rot. Bonds6

About [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine

[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 112742858) has the molecular formula C21H34N4 and a molecular weight of 342.53 g/mol. Its IUPAC name is [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID112742858
Molecular FormulaC21H34N4
Molecular Weight342.53 g/mol
Exact Mass342.28
IUPAC Name[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(CC3CC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C21H34N4/c1-18-13-21(16-22,17-24(18)15-19-5-3-2-4-6-19)25-11-9-23(10-12-25)14-20-7-8-20/h2-6,18,20H,7-17,22H2,1H3
InChIKeyJGRNSCZWMKRBJE-UHFFFAOYSA-N
XLogP2.01
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine
CID 130528368
[1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-ethoxycyclobutyl]methanamine
CID 106821889
[1,5-dimethyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrrolidin-3-yl]methanamine
CID 81468198
[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500748
3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine
CID 112742877
1-benzyl-6-methylpiperidin-3-amine
CID 54593768
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
CID 164646664
[(2R,3aS,7aR)-5-benzyl-2-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methanol
CID 125458660
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 61440176
4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane
CID 130838279
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine (CID 112742858) is [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)(N2CCN(CC3CC3)CC2)CN1Cc1ccccc1.
What is the InChIKey of [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JGRNSCZWMKRBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4/c1-18-13-21(16-22,17-24(18)15-19-5-3-2-4-6-19)25-11-9-23(10-12-25)14-20-7-8-20/h2-6,18,20H,7-17,22H2,1H3.
What are the key properties of [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine?
[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 342.53 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 112742858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).