N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H26N4 — CID 104869195

IUPACN-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)n1cc(CN(C)C2CC3CCC(C2)N3)cn1
InChIInChI=1S/C15H26N4/c1-11(2)19-10-12(8-16-19)9-18(3)15-6-13-4-5-14(7-15)17-13/h8,10-11,13-15,17H,4-7,9H2,1-3H3
InChIKeyLIQBWCMYUXXRKZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 104869195) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID104869195
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)n1cc(CN(C)C2CC3CCC(C2)N3)cn1
InChIInChI=1S/C15H26N4/c1-11(2)19-10-12(8-16-19)9-18(3)15-6-13-4-5-14(7-15)17-13/h8,10-11,13-15,17H,4-7,9H2,1-3H3
InChIKeyLIQBWCMYUXXRKZ-UHFFFAOYSA-N
XLogP2.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232377
N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62096006
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836616
N-[(3-chloro-4-methylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836502
N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66133908
N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836577
N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836574
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 64771331
N-methyl-N-(1,3-oxazol-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836468
3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 104869499
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 46998990
N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 133108255

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 104869195) is N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CC(C)n1cc(CN(C)C2CC3CCC(C2)N3)cn1.
What is the InChIKey of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LIQBWCMYUXXRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11(2)19-10-12(8-16-19)9-18(3)15-6-13-4-5-14(7-15)17-13/h8,10-11,13-15,17H,4-7,9H2,1-3H3.
What are the key properties of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 104869195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).