[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine

C16H31N3 — CID 115449029

IUPAC[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(CN2CCC(CN3CCCC3)CC2)CCC1
InChIInChI=1S/C16H31N3/c17-13-16(6-3-7-16)14-19-10-4-15(5-11-19)12-18-8-1-2-9-18/h15H,1-14,17H2
InChIKeyQWVHGYBKAZLQLM-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds5

About [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine

[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine (PubChem CID 115449029) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine
PubChem CID115449029
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine
SMILESNCC1(CN2CCC(CN3CCCC3)CC2)CCC1
InChIInChI=1S/C16H31N3/c17-13-16(6-3-7-16)14-19-10-4-15(5-11-19)12-18-8-1-2-9-18/h15H,1-14,17H2
InChIKeyQWVHGYBKAZLQLM-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448905
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
[1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 164659485
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79841857
2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine
CID 82768208
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 113417909
1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578
[1-[(1-oxo-1,4-thiazinan-4-yl)methyl]cyclobutyl]methanamine
CID 115448951

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine (CID 115449029) is [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine is NCC1(CN2CCC(CN3CCCC3)CC2)CCC1.
What is the InChIKey of [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine?
The InChIKey is QWVHGYBKAZLQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c17-13-16(6-3-7-16)14-19-10-4-15(5-11-19)12-18-8-1-2-9-18/h15H,1-14,17H2.
What are the key properties of [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine?
[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 115449029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).