3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine

C21H36N4 — CID 24899287

IUPAC3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
SMILESc1cc(CNCCN2CCCC2)ccc1CNCCCN1CCCC1
InChIInChI=1S/C21H36N4/c1-2-13-24(12-1)16-5-10-22-18-20-6-8-21(9-7-20)19-23-11-17-25-14-3-4-15-25/h6-9,22-23H,1-5,10-19H2
InChIKeyCRRVFEIYHNVXOU-UHFFFAOYSA-N
MW344.55 g/mol
LogP2.45
Rot. Bonds11

About 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine

3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine (PubChem CID 24899287) has the molecular formula C21H36N4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
PubChem CID24899287
Molecular FormulaC21H36N4
Molecular Weight344.55 g/mol
Exact Mass344.29
IUPAC Name3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
SMILESc1cc(CNCCN2CCCC2)ccc1CNCCCN1CCCC1
InChIInChI=1S/C21H36N4/c1-2-13-24(12-1)16-5-10-22-18-20-6-8-21(9-7-20)19-23-11-17-25-14-3-4-15-25/h6-9,22-23H,1-5,10-19H2
InChIKeyCRRVFEIYHNVXOU-UHFFFAOYSA-N
XLogP2.45
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.55
LogP ≤ 52.45
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

3-(4-methylpiperazin-1-yl)-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899289
N-[(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657718
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
4-[(2-pyrrolidin-1-ylethylamino)methyl]benzoic acid
CID 55097521
3-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66409579
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
CID 58788403

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine (CID 24899287) is 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine is c1cc(CNCCN2CCCC2)ccc1CNCCCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is CRRVFEIYHNVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4/c1-2-13-24(12-1)16-5-10-22-18-20-6-8-21(9-7-20)19-23-11-17-25-14-3-4-15-25/h6-9,22-23H,1-5,10-19H2.
What are the key properties of 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine?
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 344.55 g/mol, XLogP of 2.45, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 24899287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).