N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine

C13H27N3 — CID 102776007

IUPACN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
SMILESCC1CCNC1CN(C)CC1CCN(C)C1
InChIInChI=1S/C13H27N3/c1-11-4-6-14-13(11)10-16(3)9-12-5-7-15(2)8-12/h11-14H,4-10H2,1-3H3
InChIKeyPQJVBQXOIOUFED-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.87
Rot. Bonds4

About N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine

N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine (PubChem CID 102776007) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
PubChem CID102776007
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine
SMILESCC1CCNC1CN(C)CC1CCN(C)C1
InChIInChI=1S/C13H27N3/c1-11-4-6-14-13(11)10-16(3)9-12-5-7-15(2)8-12/h11-14H,4-10H2,1-3H3
InChIKeyPQJVBQXOIOUFED-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Pyrrolidin-1-ylmethyl)pyrrolidine
CID 142825
(S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine
CID 853152
2-Ethyl-2,7-diazaspiro[4.4]nonane
CID 3239935
1-(Cyclopentylmethyl)pyrrolidin-3-amine
CID 43371132
(R)-(-)-1-(2-Pyrrolidinylmethyl)pyrrolidine
CID 853151
2-Methyl-2,7-diazaspiro(4.4)nonane
CID 4713500
5-Methyl-octahydropyrrolo(3,4-b)pyrrole
CID 16228899
rac-(3aR,6aR)-1-methyl-octahydropyrrolo(2,3-c)pyrrole
CID 17567361
4-Ethyl-1-methylpyrrolidin-3-amine
CID 18712666
(1S,4S)-2-(propan-2-yl)-2,5-diazabicyclo(2.2.1)heptane
CID 24787295
rac-(3aR,6aR)-5-methyl-octahydropyrrolo(3,4-b)pyrrole
CID 51624593
4-Ethyl-1-methylpyrrolidin-3-amine dihydrochloride
CID 71758341

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine (CID 102776007) is N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine is CC1CCNC1CN(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine?
The InChIKey is PQJVBQXOIOUFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-4-6-14-13(11)10-16(3)9-12-5-7-15(2)8-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine?
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(3-methylpyrrolidin-2-yl)methyl]methanamine is sourced from PubChem (CID 102776007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).