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

C13H20N4O2 — CID 115308946

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine
SMILESCC1CCCCC1(CN)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-10-5-2-3-7-13(10,9-14)16-12-11(17(18)19)6-4-8-15-12/h4,6,8,10H,2-3,5,7,9,14H2,1H3,(H,15,16)
InChIKeyBJIYYIKDBWEDDT-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.31
Rot. Bonds4

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

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine (PubChem CID 115308946) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine
PubChem CID115308946
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine
SMILESCC1CCCCC1(CN)Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-10-5-2-3-7-13(10,9-14)16-12-11(17(18)19)6-4-8-15-12/h4,6,8,10H,2-3,5,7,9,14H2,1H3,(H,15,16)
InChIKeyBJIYYIKDBWEDDT-UHFFFAOYSA-N
XLogP2.31
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.31
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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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
CID 115309017
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-bromo-4-methyl-5-nitropyridin-2-amine
CID 104508300
methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 115309040
1-N-[1-(aminomethyl)-2-methylcyclohexyl]-4-nitrobenzene-1,3-diamine
CID 106749960
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 115309003
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-nitrobenzenesulfonamide
CID 120607134
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594244
2-ethyl-2-N-(3-nitro-2-pyridinyl)butane-1,2-diamine
CID 63888017
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731831
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
2-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-fluoro-2-nitrobenzenesulfonamide
CID 120607231

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine (CID 115308946) is N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine is CC1CCCCC1(CN)Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine?
The InChIKey is BJIYYIKDBWEDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-5-2-3-7-13(10,9-14)16-12-11(17(18)19)6-4-8-15-12/h4,6,8,10H,2-3,5,7,9,14H2,1H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.31, 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]-3-nitropyridin-2-amine is sourced from PubChem (CID 115308946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).