N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

C15H24N4O2 — CID 115306791

IUPACN-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1nc(NCCNC2CCCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-12-14(19(20)21)8-9-15(18-12)17-11-10-16-13-6-4-2-3-5-7-13/h8-9,13,16H,2-7,10-11H2,1H3,(H,17,18)
InChIKeyDWWWYQRMMUUWJO-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.02
Rot. Bonds6

About N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine

N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 115306791) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID115306791
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1nc(NCCNC2CCCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-12-14(19(20)21)8-9-15(18-12)17-11-10-16-13-6-4-2-3-5-7-13/h8-9,13,16H,2-7,10-11H2,1H3,(H,17,18)
InChIKeyDWWWYQRMMUUWJO-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'}

Analyze N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009
N-[2-(cyclopropylmethoxy)ethyl]-6-methyl-5-nitropyridin-2-amine
CID 103764632
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 103764691
6-methyl-5-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 82944671
1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 115306791) is N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is Cc1nc(NCCNC2CCCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is DWWWYQRMMUUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-14(19(20)21)8-9-15(18-12)17-11-10-16-13-6-4-2-3-5-7-13/h8-9,13,16H,2-7,10-11H2,1H3,(H,17,18).
What are the key properties of N-cycloheptyl-N'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine?
N-cycloheptyl-N'-(6-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'-(6-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 115306791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).