N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine

C16H35N4+ — CID 143268135

IUPACN-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine
SMILESCC1CCCN1CCCNCCNCC[NH+]1CCCC1
InChIInChI=1S/C16H34N4/c1-16-6-4-13-20(16)14-5-7-17-8-9-18-10-15-19-11-2-3-12-19/h16-18H,2-15H2,1H3/p+1
InChIKeySFPMKYSOMPRPHJ-UHFFFAOYSA-O
MW283.48 g/mol
LogP-0.28
Rot. Bonds10

About N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine

N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine (PubChem CID 143268135) has the molecular formula C16H35N4+ and a molecular weight of 283.48 g/mol. Its IUPAC name is N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine
PubChem CID143268135
Molecular FormulaC16H35N4+
Molecular Weight283.48 g/mol
Exact Mass283.29
IUPAC NameN-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine
SMILESCC1CCCN1CCCNCCNCC[NH+]1CCCC1
InChIInChI=1S/C16H34N4/c1-16-6-4-13-20(16)14-5-7-17-8-9-18-10-15-19-11-2-3-12-19/h16-18H,2-15H2,1H3/p+1
InChIKeySFPMKYSOMPRPHJ-UHFFFAOYSA-O
XLogP-0.28
TPSA31.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 5-0.28
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

N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
1-[3-[2-[3-(2-methylpyrrolidin-1-yl)propylamino]ethylamino]propyl]pyrrolidin-3-ol
CID 143268117
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
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
N'-[3-[(2S)-2-methylpyrrolidin-1-yl]-1-methylsulfanyloxypropyl]-N-[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]ethane-1,2-diamine
CID 143268147
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 103178390
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine (CID 143268135) is N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine is CC1CCCN1CCCNCCNCC[NH+]1CCCC1.
What is the InChIKey of N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine?
The InChIKey is SFPMKYSOMPRPHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H34N4/c1-16-6-4-13-20(16)14-5-7-17-8-9-18-10-15-19-11-2-3-12-19/h16-18H,2-15H2,1H3/p+1.
What are the key properties of N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine?
N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine has a molecular weight of 283.48 g/mol, XLogP of -0.28, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrrolidin-1-yl)propyl]-N'-(2-pyrrolidin-1-ium-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 143268135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).