2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine

C12H27N3 — CID 20705070

IUPAC2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
SMILESCC(C(C)N(C)C1CCN(C)C1)N(C)C
InChIInChI=1S/C12H27N3/c1-10(13(3)4)11(2)15(6)12-7-8-14(5)9-12/h10-12H,7-9H2,1-6H3
InChIKeyPJIXWNMSSGQXMO-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.96
Rot. Bonds4

About 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine

2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine (PubChem CID 20705070) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
PubChem CID20705070
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine
SMILESCC(C(C)N(C)C1CCN(C)C1)N(C)C
InChIInChI=1S/C12H27N3/c1-10(13(3)4)11(2)15(6)12-7-8-14(5)9-12/h10-12H,7-9H2,1-6H3
InChIKeyPJIXWNMSSGQXMO-UHFFFAOYSA-N
XLogP0.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Diethylamino)pyrrolidine
CID 19961995
N,N-Dimethyl-2-(pyrrolidin-1-yl)ethan-1-amine
CID 23423571
1-(Pyrrolidin-1-yl)butan-2-amine
CID 6484668
N,1-Diethylpyrrolidin-3-amine
CID 14153712
2-(Pyrrolidin-1-yl)butan-1-amine
CID 16781670
N,N-dimethyl-1-(prop-2-yn-1-yl)pyrrolidin-3-amine
CID 63164590
1-(Butan-2-yl)pyrrolidine
CID 12773423
1-(Propan-2-yl)pyrrolidin-3-amine
CID 16244563
N-ethyl-4-fluoro-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289511
5-(fluoromethyl)-1-methyl-N,N-di(propan-2-yl)pyrrolidin-3-amine
CID 59289523
5-(fluoromethyl)-N,1-dimethyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289535
N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
CID 59289554

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
The IUPAC name of 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine (CID 20705070) is 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine.
What is the SMILES notation for 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
The canonical SMILES for 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine is CC(C(C)N(C)C1CCN(C)C1)N(C)C.
What is the InChIKey of 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
The InChIKey is PJIXWNMSSGQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(13(3)4)11(2)15(6)12-7-8-14(5)9-12/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine?
2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-N-trimethyl-3-N-(1-methylpyrrolidin-3-yl)butane-2,3-diamine is sourced from PubChem (CID 20705070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).