N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine

C17H26N4 — CID 79164505

IUPACN-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCN1C2CCC1CN(c1ncccc1CNC1CC1)CC2
InChIInChI=1S/C17H26N4/c1-20-15-6-7-16(20)12-21(10-8-15)17-13(3-2-9-18-17)11-19-14-4-5-14/h2-3,9,14-16,19H,4-8,10-12H2,1H3
InChIKeyLRCURTRPHPNTEL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.01
Rot. Bonds4

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

N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 79164505) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID79164505
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCN1C2CCC1CN(c1ncccc1CNC1CC1)CC2
InChIInChI=1S/C17H26N4/c1-20-15-6-7-16(20)12-21(10-8-15)17-13(3-2-9-18-17)11-19-14-4-5-14/h2-3,9,14-16,19H,4-8,10-12H2,1H3
InChIKeyLRCURTRPHPNTEL-UHFFFAOYSA-N
XLogP2.01
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 79170955
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62283630
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62282985
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 114412833
1-[4-[(cyclopropylamino)methyl]-3-fluoro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389831
N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105390394
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105389678
N-methyl-1-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62286090
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 82752978
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62294591

Frequently Asked Questions

What is the IUPAC name of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 79164505) is N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine is CN1C2CCC1CN(c1ncccc1CNC1CC1)CC2.
What is the InChIKey of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is LRCURTRPHPNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-20-15-6-7-16(20)12-21(10-8-15)17-13(3-2-9-18-17)11-19-14-4-5-14/h2-3,9,14-16,19H,4-8,10-12H2,1H3.
What are the key properties of N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79164505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).