3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine

C15H22N4O2 — CID 62476863

IUPAC3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H22N4O2/c1-10-5-14(19(20)21)9-17-15(10)16-8-11-6-12-3-4-13(7-11)18(12)2/h5,9,11-13H,3-4,6-8H2,1-2H3,(H,16,17)
InChIKeyRIXFOFQGZQMZAT-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.58
Rot. Bonds4

About 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine

3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine (PubChem CID 62476863) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine
PubChem CID62476863
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H22N4O2/c1-10-5-14(19(20)21)9-17-15(10)16-8-11-6-12-3-4-13(7-11)18(12)2/h5,9,11-13H,3-4,6-8H2,1-2H3,(H,16,17)
InChIKeyRIXFOFQGZQMZAT-UHFFFAOYSA-N
XLogP2.58
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
CID 115886021
3-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]-5-nitropyridin-2-amine
CID 133417515
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
3-methyl-N-[(2-methyloxolan-3-yl)methyl]-5-nitropyridin-2-amine
CID 114106325
3-methyl-5-nitro-N-(thian-2-ylmethyl)pyridin-2-amine
CID 80612568
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitroimidazol-4-amine
CID 61012461
N-(cyclopropylmethyl)-3,5-dinitropyridin-2-amine
CID 22181365
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-nitroaniline
CID 61012733
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
N-[(2-tert-butyloxan-3-yl)methyl]-3-methyl-5-nitropyridin-2-amine
CID 133308990
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine (CID 62476863) is 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCC1CC2CCC(C1)N2C.
What is the InChIKey of 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine?
The InChIKey is RIXFOFQGZQMZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-5-14(19(20)21)9-17-15(10)16-8-11-6-12-3-4-13(7-11)18(12)2/h5,9,11-13H,3-4,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine?
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine has a molecular weight of 290.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 62476863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).