6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine

C14H23N5O2 — CID 115306741

IUPAC6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCNC2CCCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O2/c15-14-12(19(20)21)7-8-13(18-14)17-10-9-16-11-5-3-1-2-4-6-11/h7-8,11,16H,1-6,9-10H2,(H3,15,17,18)
InChIKeyAPMHVODIPYIOJD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.30
Rot. Bonds6

About 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine

6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine (PubChem CID 115306741) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
PubChem CID115306741
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCNC2CCCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O2/c15-14-12(19(20)21)7-8-13(18-14)17-10-9-16-11-5-3-1-2-4-6-11/h7-8,11,16H,1-6,9-10H2,(H3,15,17,18)
InChIKeyAPMHVODIPYIOJD-UHFFFAOYSA-N
XLogP2.30
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306791
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79827901
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
3-[(6-amino-5-nitro-2-pyridinyl)amino]propylcarbamic acid
CID 68711250

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine (CID 115306741) is 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine is Nc1nc(NCCNC2CCCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine?
The InChIKey is APMHVODIPYIOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-14-12(19(20)21)7-8-13(18-14)17-10-9-16-11-5-3-1-2-4-6-11/h7-8,11,16H,1-6,9-10H2,(H3,15,17,18).
What are the key properties of 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine?
6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine has a molecular weight of 293.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 115306741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).