1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol

C17H36N4O — CID 143268117

IUPAC1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol
SMILESCC1CCCN1CCCNCCNCCCN1CCC(O)C1
InChIInChI=1S/C17H36N4O/c1-16-5-2-12-21(16)13-4-8-19-10-9-18-7-3-11-20-14-6-17(22)15-20/h16-19,22H,2-15H2,1H3
InChIKeyGZWKBOXDZUEDJP-UHFFFAOYSA-N
MW312.50 g/mol
LogP0.50
Rot. Bonds11

About 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol

1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol (PubChem CID 143268117) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol
PubChem CID143268117
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC Name1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol
SMILESCC1CCCN1CCCNCCNCCCN1CCC(O)C1
InChIInChI=1S/C17H36N4O/c1-16-5-2-12-21(16)13-4-8-19-10-9-18-7-3-11-20-14-6-17(22)15-20/h16-19,22H,2-15H2,1H3
InChIKeyGZWKBOXDZUEDJP-UHFFFAOYSA-N
XLogP0.50
TPSA50.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
1-[3-(propylamino)propyl]pyrrolidin-3-ol
CID 62942273
N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine
CID 143268135
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
CID 114209368
N'-[3-[(2S)-2-methylpyrrolidin-1-yl]-1-methylsulfanyloxypropyl]-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]ethane-1,2-diamine
CID 143268147
1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
CID 69468960
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
CID 60886265
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol (CID 143268117) is 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol is CC1CCCN1CCCNCCNCCCN1CCC(O)C1.
What is the InChIKey of 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol?
The InChIKey is GZWKBOXDZUEDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O/c1-16-5-2-12-21(16)13-4-8-19-10-9-18-7-3-11-20-14-6-17(22)15-20/h16-19,22H,2-15H2,1H3.
What are the key properties of 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol?
1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol has a molecular weight of 312.50 g/mol, XLogP of 0.50, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol is sourced from PubChem (CID 143268117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).