6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine

C17H35N3 — CID 79170128

IUPAC6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine
SMILESCCCC(CCN)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C17H35N3/c1-3-5-15(9-11-18)6-4-12-20-13-10-16-7-8-17(14-20)19(16)2/h15-17H,3-14,18H2,1-2H3
InChIKeyVIXMHWBXQLLWMF-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds8

About 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine

6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine (PubChem CID 79170128) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine.

Molecular Properties

Compound Name6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine
PubChem CID79170128
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine
SMILESCCCC(CCN)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C17H35N3/c1-3-5-15(9-11-18)6-4-12-20-13-10-16-7-8-17(14-20)19(16)2/h15-17H,3-14,18H2,1-2H3
InChIKeyVIXMHWBXQLLWMF-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
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
3-(4-bromobutyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175266
3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
CID 106811396
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
CID 156795020
N-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-1-amine
CID 79171030
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 165145974
2-amino-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-ol
CID 79170623
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
CID 114460413
ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163910
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234

Frequently Asked Questions

What is the IUPAC name of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine?
The IUPAC name of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine (CID 79170128) is 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine.
What is the SMILES notation for 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine?
The canonical SMILES for 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine is CCCC(CCN)CCCN1CCC2CCC(C1)N2C.
What is the InChIKey of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine?
The InChIKey is VIXMHWBXQLLWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-5-15(9-11-18)6-4-12-20-13-10-16-7-8-17(14-20)19(16)2/h15-17H,3-14,18H2,1-2H3.
What are the key properties of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine?
6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylhexan-1-amine is sourced from PubChem (CID 79170128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).