N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

C15H24N4O2 — CID 115306690

IUPACN-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NCCNC1CCCCCC1
InChIInChI=1S/C15H24N4O2/c1-12-10-14(19(20)21)11-18-15(12)17-9-8-16-13-6-4-2-3-5-7-13/h10-11,13,16H,2-9H2,1H3,(H,17,18)
InChIKeyFDRODFNCOUAGBP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.02
Rot. Bonds6

About N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 115306690) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID115306690
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1cc([N+](=O)[O-])cnc1NCCNC1CCCCCC1
InChIInChI=1S/C15H24N4O2/c1-12-10-14(19(20)21)11-18-15(12)17-9-8-16-13-6-4-2-3-5-7-13/h10-11,13,16H,2-9H2,1H3,(H,17,18)
InChIKeyFDRODFNCOUAGBP-UHFFFAOYSA-N
XLogP3.02
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

cyclohexyl 2-[(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 133428758
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitropyridin-2-amine
CID 115886021
3-methyl-5-nitro-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 114794444
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
3-methyl-5-nitro-N-(thian-2-ylmethyl)pyridin-2-amine
CID 80612568
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
CID 55261968
1-cyclopropyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115301466
N'-(3-bromo-5-nitro-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 79534716
3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
CID 83025553

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 115306690) is N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is Cc1cc([N+](=O)[O-])cnc1NCCNC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is FDRODFNCOUAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-10-14(19(20)21)11-18-15(12)17-9-8-16-13-6-4-2-3-5-7-13/h10-11,13,16H,2-9H2,1H3,(H,17,18).
What are the key properties of N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 292.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 115306690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).