N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

C13H27N3 — CID 80998479

IUPACN-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCNCC1CCC1N(C)CC1CCN(C)C1
InChIInChI=1S/C13H27N3/c1-14-8-12-4-5-13(12)16(3)10-11-6-7-15(2)9-11/h11-14H,4-10H2,1-3H3
InChIKeyPQPJLRGRJFODEN-UHFFFAOYSA-N
MW225.38 g/mol
LogP0.87
Rot. Bonds5

About N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 80998479) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID80998479
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCNCC1CCC1N(C)CC1CCN(C)C1
InChIInChI=1S/C13H27N3/c1-14-8-12-4-5-13(12)16(3)10-11-6-7-15(2)9-11/h11-14H,4-10H2,1-3H3
InChIKeyPQPJLRGRJFODEN-UHFFFAOYSA-N
XLogP0.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[(tert-butylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 80998648
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)cyclobutan-1-amine
CID 81004867
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80999749
1-N,2-N-dimethyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclooctane-1,2-diamine
CID 63275645
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
4-ethyl-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 63275638
N-methyl-2-(methylaminomethyl)-N-pentan-2-ylcyclobutan-1-amine
CID 80998399
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
3-N,4-N-dimethyl-3-N-[(1-methylpyrrolidin-3-yl)methyl]-3,4-dihydro-2H-chromene-3,4-diamine
CID 63276081
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
N-methyl-2-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 80998325
N-methyl-2-(methylaminomethyl)-N-pentylcyclobutan-1-amine
CID 80998376

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (CID 80998479) is N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is CNCC1CCC1N(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is PQPJLRGRJFODEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-14-8-12-4-5-13(12)16(3)10-11-6-7-15(2)9-11/h11-14H,4-10H2,1-3H3.
What are the key properties of N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 80998479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).