1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine

C13H29N3 — CID 83054321

IUPAC1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
SMILESCCCC(CNC)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3/c1-4-7-13(12-14-2)15(3)10-11-16-8-5-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyCUDHZXYIYBDIHL-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds8

About 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine

1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine (PubChem CID 83054321) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
PubChem CID83054321
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
SMILESCCCC(CNC)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3/c1-4-7-13(12-14-2)15(3)10-11-16-8-5-6-9-16/h13-14H,4-12H2,1-3H3
InChIKeyCUDHZXYIYBDIHL-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054412
2-N-methyl-1-N-pentan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 55163822
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63209169
2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine
CID 63206770
2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708266
2-N-(cyclobutylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 83055229
2-N-(cyclopropylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 83054183
N-methyl-2-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 83045031
2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115773280
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268
2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708264
1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63208838

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine (CID 83054321) is 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine is CCCC(CNC)N(C)CCN1CCCC1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
The InChIKey is CUDHZXYIYBDIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-7-13(12-14-2)15(3)10-11-16-8-5-6-9-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 83054321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).