N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine

C13H20N4O2 — CID 105418908

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CCC1
InChIInChI=1S/C13H20N4O2/c1-10-7-11(17(18)19)8-14-12(10)15-9-13(16(2)3)5-4-6-13/h7-8H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyFXERVQYJMFVFJR-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.19
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine (PubChem CID 105418908) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
PubChem CID105418908
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CCC1
InChIInChI=1S/C13H20N4O2/c1-10-7-11(17(18)19)8-14-12(10)15-9-13(16(2)3)5-4-6-13/h7-8H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyFXERVQYJMFVFJR-UHFFFAOYSA-N
XLogP2.19
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.19
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-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
CID 55261968
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine
CID 105418887
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 105420900
3-methyl-5-nitro-N-[(1-phenylsulfanylcyclopropyl)methyl]pyridin-2-amine
CID 133296922
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-nitroaniline
CID 105419043
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine (CID 105418908) is N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine?
The InChIKey is FXERVQYJMFVFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-7-11(17(18)19)8-14-12(10)15-9-13(16(2)3)5-4-6-13/h7-8H,4-6,9H2,1-3H3,(H,14,15).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 105418908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).