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

C17H36N4 — CID 143268112

IUPACN'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESCC1CCCN1CCCNCCNCCCN1CCCC1
InChIInChI=1S/C17H36N4/c1-17-7-4-15-21(17)16-6-9-19-11-10-18-8-5-14-20-12-2-3-13-20/h17-19H,2-16H2,1H3
InChIKeyUYPSGOCKOZEVOZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.53
Rot. Bonds11

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

N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (PubChem CID 143268112) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
PubChem CID143268112
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC NameN'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESCC1CCCN1CCCNCCNCCCN1CCCC1
InChIInChI=1S/C17H36N4/c1-17-7-4-15-21(17)16-6-9-19-11-10-18-8-5-14-20-12-2-3-13-20/h17-19H,2-16H2,1H3
InChIKeyUYPSGOCKOZEVOZ-UHFFFAOYSA-N
XLogP1.53
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.53
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

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
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-(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-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
1-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]piperazine
CID 174676433
1,3-bis[3-[(2S)-2-methylpyrrolidin-1-yl]propyl]imidazolidine
CID 69468960
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (CID 143268112) is N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is CC1CCCN1CCCNCCNCCCN1CCCC1.
What is the InChIKey of N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The InChIKey is UYPSGOCKOZEVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-17-7-4-15-21(17)16-6-9-19-11-10-18-8-5-14-20-12-2-3-13-20/h17-19H,2-16H2,1H3.
What are the key properties of N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 1.53, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 143268112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).