[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine

C16H31N3 — CID 103563040

IUPAC[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C16H31N3/c1-12(2)13-8-16(9-13,11-17)19-7-6-14-4-5-15(10-19)18(14)3/h12-15H,4-11,17H2,1-3H3
InChIKeyRYIPCMZPFKGFAU-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds3

About [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine

[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine (PubChem CID 103563040) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
PubChem CID103563040
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
SMILESCC(C)C1CC(CN)(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C16H31N3/c1-12(2)13-8-16(9-13,11-17)19-7-6-14-4-5-15(10-19)18(14)3/h12-15H,4-11,17H2,1-3H3
InChIKeyRYIPCMZPFKGFAU-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine with MolForge

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Related Compounds

[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[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
[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
[1-(3,4-dimethylpiperidin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107449230
[3,5-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)cyclohexyl]methanamine
CID 103494626
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[3-(4-ethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 61421093
[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
CID 106663212
[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 63971308

Frequently Asked Questions

What is the IUPAC name of [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine?
The IUPAC name of [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine (CID 103563040) is [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine.
What is the SMILES notation for [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine?
The canonical SMILES for [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine is CC(C)C1CC(CN)(N2CCC3CCC(C2)N3C)C1.
What is the InChIKey of [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine?
The InChIKey is RYIPCMZPFKGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12(2)13-8-16(9-13,11-17)19-7-6-14-4-5-15(10-19)18(14)3/h12-15H,4-11,17H2,1-3H3.
What are the key properties of [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine?
[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine is sourced from PubChem (CID 103563040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).