4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine

C11H15N3O2 — CID 115669034

IUPAC4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCC2CC2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-7-3-9(7)5-12-11-4-8(2)10(6-13-11)14(15)16/h4,6-7,9H,3,5H2,1-2H3,(H,12,13)
InChIKeyNTLKDSATCGZMAA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.37
Rot. Bonds4

About 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine

4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine (PubChem CID 115669034) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
PubChem CID115669034
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc(NCC2CC2C)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-7-3-9(7)5-12-11-4-8(2)10(6-13-11)14(15)16/h4,6-7,9H,3,5H2,1-2H3,(H,12,13)
InChIKeyNTLKDSATCGZMAA-UHFFFAOYSA-N
XLogP2.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.37
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

2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
N-[(2-tert-butyloxolan-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339782
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-methyl-5-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 79173840
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
CID 103761740
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine (CID 115669034) is 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine is Cc1cc(NCC2CC2C)ncc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine?
The InChIKey is NTLKDSATCGZMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-3-9(7)5-12-11-4-8(2)10(6-13-11)14(15)16/h4,6-7,9H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine?
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine has a molecular weight of 221.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 115669034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).