6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine

C16H33N3 — CID 79170849

IUPAC6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
SMILESCC(N)CCCC(C)CN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3/c1-13(5-4-6-14(2)17)11-19-10-9-15-7-8-16(12-19)18(15)3/h13-16H,4-12,17H2,1-3H3
InChIKeyZOKOHFGUDMBYQH-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds6

About 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine

6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine (PubChem CID 79170849) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine.

Molecular Properties

Compound Name6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
PubChem CID79170849
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
SMILESCC(N)CCCC(C)CN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H33N3/c1-13(5-4-6-14(2)17)11-19-10-9-15-7-8-16(12-19)18(15)3/h13-16H,4-12,17H2,1-3H3
InChIKeyZOKOHFGUDMBYQH-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
CID 79175495
6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
CID 65296095
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
CID 65296099
2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol
CID 79170623
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
1-ethoxy-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 79089781
7-(4,4-dimethylazepan-1-yl)-6-methylheptan-2-amine
CID 65296260
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(oxolan-3-yl)ethanamine
CID 113448316
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentan-1-amine
CID 103497584
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine?
The IUPAC name of 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine (CID 79170849) is 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine.
What is the SMILES notation for 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine?
The canonical SMILES for 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine is CC(N)CCCC(C)CN1CCC2CCC(C1)N2C.
What is the InChIKey of 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine?
The InChIKey is ZOKOHFGUDMBYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(5-4-6-14(2)17)11-19-10-9-15-7-8-16(12-19)18(15)3/h13-16H,4-12,17H2,1-3H3.
What are the key properties of 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine?
6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine is sourced from PubChem (CID 79170849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).