N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine

C16H31N3 — CID 79118522

IUPACN-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
SMILESCN1C2CCC1CN(CCNC1CCCCC1)CC2
InChIInChI=1S/C16H31N3/c1-18-15-7-8-16(18)13-19(11-9-15)12-10-17-14-5-3-2-4-6-14/h14-17H,2-13H2,1H3
InChIKeyJPRHMEAXDNBICM-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds4

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

N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine (PubChem CID 79118522) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
PubChem CID79118522
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
SMILESCN1C2CCC1CN(CCNC1CCCCC1)CC2
InChIInChI=1S/C16H31N3/c1-18-15-7-8-16(18)13-19(11-9-15)12-10-17-14-5-3-2-4-6-14/h14-17H,2-13H2,1H3
InChIKeyJPRHMEAXDNBICM-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170174
3-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170964
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
CID 62574590
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79174779
N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanamine
CID 62574223
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167533
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
4-methyl-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 63167536
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361

Frequently Asked Questions

What is the IUPAC name of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine (CID 79118522) is N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine is CN1C2CCC1CN(CCNC1CCCCC1)CC2.
What is the InChIKey of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine?
The InChIKey is JPRHMEAXDNBICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-18-15-7-8-16(18)13-19(11-9-15)12-10-17-14-5-3-2-4-6-14/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine?
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 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)ethyl]cyclohexanamine is sourced from PubChem (CID 79118522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).