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

C12H18N4O2 — CID 105418887

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine
SMILESCN(C)C1(CNc2ccc([N+](=O)[O-])cn2)CCC1
InChIInChI=1S/C12H18N4O2/c1-15(2)12(6-3-7-12)9-14-11-5-4-10(8-13-11)16(17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,14)
InChIKeyXNDSHIFXOJZBTD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.89
Rot. Bonds5

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

N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine (PubChem CID 105418887) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine
PubChem CID105418887
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine
SMILESCN(C)C1(CNc2ccc([N+](=O)[O-])cn2)CCC1
InChIInChI=1S/C12H18N4O2/c1-15(2)12(6-3-7-12)9-14-11-5-4-10(8-13-11)16(17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,14)
InChIKeyXNDSHIFXOJZBTD-UHFFFAOYSA-N
XLogP1.89
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.89
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

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 105418908
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
N-[(4-methylpiperidin-4-yl)methyl]-5-nitropyridin-2-amine
CID 113400635
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
6-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 105418958
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-nitropyridin-2-amine
CID 103794691
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridin-2-amine
CID 83113071
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-nitropyrimidin-2-amine
CID 61212119
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 105420900
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine (CID 105418887) is N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine is CN(C)C1(CNc2ccc([N+](=O)[O-])cn2)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine?
The InChIKey is XNDSHIFXOJZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)12(6-3-7-12)9-14-11-5-4-10(8-13-11)16(17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H,13,14).
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.89, 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]-5-nitropyridin-2-amine is sourced from PubChem (CID 105418887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).