N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine

C12H25N3O2 — CID 19093118

IUPACN'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
SMILESCC(C)(CNCCNC1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C12H25N3O2/c1-12(2,15(16)17)10-13-8-9-14-11-6-4-3-5-7-11/h11,13-14H,3-10H2,1-2H3
InChIKeyILRACNKHMBNXQR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.55
Rot. Bonds7

About N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine

N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine (PubChem CID 19093118) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
PubChem CID19093118
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
SMILESCC(C)(CNCCNC1CCCCC1)[N+](=O)[O-]
InChIInChI=1S/C12H25N3O2/c1-12(2,15(16)17)10-13-8-9-14-11-6-4-3-5-7-11/h11,13-14H,3-10H2,1-2H3
InChIKeyILRACNKHMBNXQR-UHFFFAOYSA-N
XLogP1.55
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine (CID 19093118) is N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine is CC(C)(CNCCNC1CCCCC1)[N+](=O)[O-].
What is the InChIKey of N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
The InChIKey is ILRACNKHMBNXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,15(16)17)10-13-8-9-14-11-6-4-3-5-7-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine has a molecular weight of 243.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine is sourced from PubChem (CID 19093118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).