5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine

C12H17N3O2 — CID 103742874

IUPAC5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
SMILESCC(C)C1(CNc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C12H17N3O2/c1-9(2)12(5-6-12)8-14-11-4-3-10(7-13-11)15(16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyOHWWXJWQJLZCDU-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.84
Rot. Bonds5

About 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine

5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 103742874) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
PubChem CID103742874
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
SMILESCC(C)C1(CNc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C12H17N3O2/c1-9(2)12(5-6-12)8-14-11-4-3-10(7-13-11)15(16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyOHWWXJWQJLZCDU-UHFFFAOYSA-N
XLogP2.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methylpiperidin-4-yl)methyl]-5-nitropyridin-2-amine
CID 113400635
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-nitropyridin-2-amine
CID 105418887
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
1-(4-nitrophenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
CID 103742159
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-nitropyridin-2-amine
CID 103794691
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595
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 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine (CID 103742874) is 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine is CC(C)C1(CNc2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is OHWWXJWQJLZCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)12(5-6-12)8-14-11-4-3-10(7-13-11)15(16)17/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine?
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103742874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).