[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine

C14H27N3 — CID 103563041

IUPAC[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
SMILESCC1CC(CN)(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C14H27N3/c1-11-7-14(8-11,10-15)17-6-5-12-3-4-13(9-17)16(12)2/h11-13H,3-10,15H2,1-2H3
InChIKeyTWFVKKGHXJPWRA-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.28
Rot. Bonds2

About [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine

[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine (PubChem CID 103563041) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
PubChem CID103563041
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
SMILESCC1CC(CN)(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C14H27N3/c1-11-7-14(8-11,10-15)17-6-5-12-3-4-13(9-17)16(12)2/h11-13H,3-10,15H2,1-2H3
InChIKeyTWFVKKGHXJPWRA-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103563040
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214
[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
CID 79166206
[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79175489
[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103563130
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 43620231
[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
CID 106663212
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
CID 103562954
[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 61421093
[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562910
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
CID 159003358

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine?
The IUPAC name of [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine (CID 103563041) is [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine is CC1CC(CN)(N2CCC3CCC(C2)N3C)C1.
What is the InChIKey of [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine?
The InChIKey is TWFVKKGHXJPWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11-7-14(8-11,10-15)17-6-5-12-3-4-13(9-17)16(12)2/h11-13H,3-10,15H2,1-2H3.
What are the key properties of [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine?
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine has a molecular weight of 237.39 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 103563041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).