N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine

C12H17N3O2 — CID 107413743

IUPACN-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
SMILESCC1CCC(CNc2cc([N+](=O)[O-])ccn2)C1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(6-9)8-14-12-7-11(15(16)17)4-5-13-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,13,14)
InChIKeyPMEJATKVYLSSLF-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.84
Rot. Bonds4

About N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine

N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine (PubChem CID 107413743) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
PubChem CID107413743
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
SMILESCC1CCC(CNc2cc([N+](=O)[O-])ccn2)C1
InChIInChI=1S/C12H17N3O2/c1-9-2-3-10(6-9)8-14-12-7-11(15(16)17)4-5-13-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,13,14)
InChIKeyPMEJATKVYLSSLF-UHFFFAOYSA-N
XLogP2.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
3-[[(4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114147342
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738
N-[(3-methylcyclopentyl)methyl]-5-nitropyrimidin-2-amine
CID 107414046
N'-cyclopropyl-N'-methyl-N-(4-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62979922
N-[(3-methylcyclopentyl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 107413783
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-4-nitropyridin-2-amine
CID 90921952
2-chloro-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414764
3-N-[(3-methylcyclopentyl)methyl]-5-nitro-1-N-propylbenzene-1,3-diamine
CID 107415830
N-(2-methyl-2-methylsulfonylpropyl)-4-nitropyridin-2-amine
CID 79563520
N-[(4-methylcyclohexyl)methyl]-5-nitropyrimidin-2-amine
CID 63243364
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine?
The IUPAC name of N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine (CID 107413743) is N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine.
What is the SMILES notation for N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine?
The canonical SMILES for N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine is CC1CCC(CNc2cc([N+](=O)[O-])ccn2)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine?
The InChIKey is PMEJATKVYLSSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-2-3-10(6-9)8-14-12-7-11(15(16)17)4-5-13-12/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,13,14).
What are the key properties of N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine?
N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 107413743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).