2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine

C13H29N3 — CID 64708266

IUPAC2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
SMILESCNC(C)CC(C)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3/c1-12(14-3)11-13(2)15(4)9-10-16-7-5-6-8-16/h12-14H,5-11H2,1-4H3
InChIKeyGKOGZCJMFKEHPP-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine

2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine (PubChem CID 64708266) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
PubChem CID64708266
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
SMILESCNC(C)CC(C)N(C)CCN1CCCC1
InChIInChI=1S/C13H29N3/c1-12(14-3)11-13(2)15(4)9-10-16-7-5-6-8-16/h12-14H,5-11H2,1-4H3
InChIKeyGKOGZCJMFKEHPP-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708264
2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 115773280
2-N-methyl-1-N-pentan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 55163822
2-N,4-N-dimethyl-4-N-pyrrolidin-1-ylsulfanylpentane-2,4-diamine
CID 130267718
1-N-(2-methoxyethyl)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63208838
1-N,2-N-dimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 83054321
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
CID 55127755
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63209169
1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
CID 64820509
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
N-methyl-4-pyrrolidin-1-ylpentan-2-amine
CID 64709027

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine (CID 64708266) is 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine is CNC(C)CC(C)N(C)CCN1CCCC1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
The InChIKey is GKOGZCJMFKEHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-12(14-3)11-13(2)15(4)9-10-16-7-5-6-8-16/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine?
2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine is sourced from PubChem (CID 64708266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).