N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine

C12H27N3 — CID 62636776

IUPACN'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESCCN(C)CCNCCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-3-14(2)12-8-13-7-6-11-15-9-4-5-10-15/h13H,3-12H2,1-2H3
InChIKeyZCDGNAITACZXOZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds8

About N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (PubChem CID 62636776) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
PubChem CID62636776
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
SMILESCCN(C)CCNCCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-3-14(2)12-8-13-7-6-11-15-9-4-5-10-15/h13H,3-12H2,1-2H3
InChIKeyZCDGNAITACZXOZ-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
CID 143661106
N-(4-ethoxybutyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208969
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
3-(4-butylpiperazin-1-yl)-N-[3-(4-butylpiperazin-1-yl)propyl]propan-1-amine
CID 69028178
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide
CID 167457610
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine (CID 62636776) is N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is CCN(C)CCNCCCN1CCCC1.
What is the InChIKey of N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
The InChIKey is ZCDGNAITACZXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-14(2)12-8-13-7-6-11-15-9-4-5-10-15/h13H,3-12H2,1-2H3.
What are the key properties of N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62636776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).