2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

C18H31N3 — CID 103014457

IUPAC2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCc2ccnn2C)CC2CCC1C2
InChIInChI=1S/C18H31N3/c1-14(2)12-19-13-18(11-15-4-5-16(18)10-15)8-6-17-7-9-20-21(17)3/h7,9,14-16,19H,4-6,8,10-13H2,1-3H3
InChIKeyCIBCZYODVZNAFJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.40
Rot. Bonds7

About 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine

2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (PubChem CID 103014457) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
PubChem CID103014457
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
SMILESCC(C)CNCC1(CCc2ccnn2C)CC2CCC1C2
InChIInChI=1S/C18H31N3/c1-14(2)12-19-13-18(11-15-4-5-16(18)10-15)8-6-17-7-9-20-21(17)3/h7,9,14-16,19H,4-6,8,10-13H2,1-3H3
InChIKeyCIBCZYODVZNAFJ-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine with MolForge

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Related Compounds

[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855
2-methyl-N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63522364
N-[[2-(4-methoxybutyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 104649309
N-[[2-(cyclopropylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-1-amine
CID 106930723
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
N-[[2-cyclopropyl-3-[2-(2-methylpyrazol-3-yl)ethyl]oxolan-3-yl]methyl]ethanamine
CID 103014837
N-[[3-[2-(2-methylpyrazol-3-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methyl]cyclopropanamine
CID 103014764
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521992
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521653
N-[[2-[(4-bromothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 63521459
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine (CID 103014457) is 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is CC(C)CNCC1(CCc2ccnn2C)CC2CCC1C2.
What is the InChIKey of 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
The InChIKey is CIBCZYODVZNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14(2)12-19-13-18(11-15-4-5-16(18)10-15)8-6-17-7-9-20-21(17)3/h7,9,14-16,19H,4-6,8,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine?
2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine is sourced from PubChem (CID 103014457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).