N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline

C17H27N3 — CID 79170317

IUPACN-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H27N3/c1-14(12-18-15-6-4-3-5-7-15)20-11-10-16-8-9-17(13-20)19(16)2/h3-7,14,16-18H,8-13H2,1-2H3
InChIKeyUACUUCRSXYXOTC-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline

N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline (PubChem CID 79170317) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline.

Molecular Properties

Compound NameN-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline
PubChem CID79170317
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline
SMILESCC(CNc1ccccc1)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H27N3/c1-14(12-18-15-6-4-3-5-7-15)20-11-10-16-8-9-17(13-20)19(16)2/h3-7,14,16-18H,8-13H2,1-2H3
InChIKeyUACUUCRSXYXOTC-UHFFFAOYSA-N
XLogP2.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-anilinopropan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 55089337
N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
CID 63503555
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-ol
CID 79174920
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline
CID 62930831
2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine
CID 79171044
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]aniline
CID 104961099
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234
N-[2-(4,4-diethylpiperidin-1-yl)propyl]aniline
CID 63503487
N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline
CID 62568875
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
9-methyl-N-phenyl-3,9-diazabicyclo[4.2.1]nonane-3-carbothioamide
CID 115667354

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline?
The IUPAC name of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline (CID 79170317) is N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline.
What is the SMILES notation for N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline?
The canonical SMILES for N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline is CC(CNc1ccccc1)N1CCC2CCC(C1)N2C.
What is the InChIKey of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline?
The InChIKey is UACUUCRSXYXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14(12-18-15-6-4-3-5-7-15)20-11-10-16-8-9-17(13-20)19(16)2/h3-7,14,16-18H,8-13H2,1-2H3.
What are the key properties of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline?
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline has a molecular weight of 273.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]aniline is sourced from PubChem (CID 79170317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).