2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine

C14H29N3 — CID 79174956

IUPAC2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine
SMILESCC(C)C(C)(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H29N3/c1-11(2)14(3,10-15)17-8-7-12-5-6-13(9-17)16(12)4/h11-13H,5-10,15H2,1-4H3
InChIKeyZMASXELRHIDTRE-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds3

About 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine

2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine (PubChem CID 79174956) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine
PubChem CID79174956
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine
SMILESCC(C)C(C)(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H29N3/c1-11(2)14(3,10-15)17-8-7-12-5-6-13(9-17)16(12)4/h11-13H,5-10,15H2,1-4H3
InChIKeyZMASXELRHIDTRE-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)octan-1-amine
CID 79175486
8-methyl-3-(2,3,4-trimethylpentan-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 155171561
2-(azetidin-1-yl)-2,3-dimethylbutan-1-amine
CID 84716627
2-(4-ethyl-3-methylpiperazin-1-yl)-2,3-dimethylbutan-1-amine
CID 63605604
2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 54985244
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
3,3-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-2-ol
CID 79170230
2-(2-ethylmorpholin-4-yl)-2,3-dimethylbutan-1-amine
CID 61353367
3,3-dimethoxy-2-methyl-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114537586
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-amine
CID 79175495
2-amino-2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanenitrile
CID 79175534
2,2-dimethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanethioamide
CID 79174883

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine (CID 79174956) is 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine is CC(C)C(C)(CN)N1CCC2CCC(C1)N2C.
What is the InChIKey of 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine?
The InChIKey is ZMASXELRHIDTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-11(2)14(3,10-15)17-8-7-12-5-6-13(9-17)16(12)4/h11-13H,5-10,15H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine?
2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-amine is sourced from PubChem (CID 79174956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).