N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine

C14H22N4O2 — CID 115309017

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
SMILESCc1ccnc(NC2(CN)CCCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-10-6-8-16-13(12(10)18(19)20)17-14(9-15)7-4-3-5-11(14)2/h6,8,11H,3-5,7,9,15H2,1-2H3,(H,16,17)
InChIKeyGYBOAVYYIJTRLX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.62
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine (PubChem CID 115309017) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
PubChem CID115309017
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
SMILESCc1ccnc(NC2(CN)CCCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-10-6-8-16-13(12(10)18(19)20)17-14(9-15)7-4-3-5-11(14)2/h6,8,11H,3-5,7,9,15H2,1-2H3,(H,16,17)
InChIKeyGYBOAVYYIJTRLX-UHFFFAOYSA-N
XLogP2.62
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine (CID 115309017) is N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine is Cc1ccnc(NC2(CN)CCCCC2C)c1[N+](=O)[O-].
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine?
The InChIKey is GYBOAVYYIJTRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-6-8-16-13(12(10)18(19)20)17-14(9-15)7-4-3-5-11(14)2/h6,8,11H,3-5,7,9,15H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 115309017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).