N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine

C12H27N3 — CID 115252723

IUPACN-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNC1CCN(C)C1)C(C)C
InChIInChI=1S/C12H27N3/c1-10(2)11(7-13-3)8-14-12-5-6-15(4)9-12/h10-14H,5-9H2,1-4H3
InChIKeyPYOFVBDZCMWITM-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.77
Rot. Bonds6

About N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine

N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252723) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252723
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNC1CCN(C)C1)C(C)C
InChIInChI=1S/C12H27N3/c1-10(2)11(7-13-3)8-14-12-5-6-15(4)9-12/h10-14H,5-9H2,1-4H3
InChIKeyPYOFVBDZCMWITM-UHFFFAOYSA-N
XLogP0.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
3-methyl-2-[[(1-methylpyrrolidin-3-yl)amino]methyl]butanoic acid
CID 115250234
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718
2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115254845
1-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidin-3-amine
CID 62975439
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
2-ethyl-N-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 115254844
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
1-methyl-N-(2-propan-2-yloxyethyl)pyrrolidin-3-amine
CID 61485081

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine (CID 115252723) is N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine is CNCC(CNC1CCN(C)C1)C(C)C.
What is the InChIKey of N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PYOFVBDZCMWITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)11(7-13-3)8-14-12-5-6-15(4)9-12/h10-14H,5-9H2,1-4H3.
What are the key properties of N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine?
N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(1-methylpyrrolidin-3-yl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).