N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C12H27N3 — CID 107911579

IUPACN'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(2)14(3)10-6-13-7-11-15-8-4-5-9-15/h12-13H,4-11H2,1-3H3
InChIKeyJHTQDYNOQBYVFW-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds7

About N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 107911579) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID107911579
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(2)14(3)10-6-13-7-11-15-8-4-5-9-15/h12-13H,4-11H2,1-3H3
InChIKeyJHTQDYNOQBYVFW-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111325263
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
CID 122495031
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N'-methyl-N'-propan-2-yl-N-(1-propylazepan-4-yl)ethane-1,2-diamine
CID 65078082
1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63208838
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 107911579) is N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CC(C)N(C)CCNCCN1CCCC1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is JHTQDYNOQBYVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2)14(3)10-6-13-7-11-15-8-4-5-9-15/h12-13H,4-11H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 107911579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).