3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine

C14H29N3 — CID 115214441

IUPAC3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
SMILESCN1CCC(C(C)(C)CNCC2CC(N)C2)C1
InChIInChI=1S/C14H29N3/c1-14(2,12-4-5-17(3)9-12)10-16-8-11-6-13(15)7-11/h11-13,16H,4-10,15H2,1-3H3
InChIKeyAYZMASKIXNHHOZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.29
Rot. Bonds5

About 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine

3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine (PubChem CID 115214441) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
PubChem CID115214441
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
SMILESCN1CCC(C(C)(C)CNCC2CC(N)C2)C1
InChIInChI=1S/C14H29N3/c1-14(2,12-4-5-17(3)9-12)10-16-8-11-6-13(15)7-11/h11-13,16H,4-10,15H2,1-3H3
InChIKeyAYZMASKIXNHHOZ-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
CID 115223620
2-methyl-2-(1-methylpyrrolidin-3-yl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209785
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 115214151
[3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]oxetan-3-yl]methanol
CID 115249172
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115221764
2-hydroxy-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115140342
3-amino-3-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115155136
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115263731
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115158616
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine (CID 115214441) is 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine is CN1CCC(C(C)(C)CNCC2CC(N)C2)C1.
What is the InChIKey of 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is AYZMASKIXNHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-14(2,12-4-5-17(3)9-12)10-16-8-11-6-13(15)7-11/h11-13,16H,4-10,15H2,1-3H3.
What are the key properties of 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine?
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).