N,N-bis(2-nitroethyl)cyclohexanamine

C10H19N3O4 — CID 15140897

IUPACN,N-bis(2-nitroethyl)cyclohexanamine
SMILESO=[N+]([O-])CCN(CC[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C10H19N3O4/c14-12(15)8-6-11(7-9-13(16)17)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyPTPJUUACOWRUSF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.17
Rot. Bonds7

About N,N-bis(2-nitroethyl)cyclohexanamine

N,N-bis(2-nitroethyl)cyclohexanamine (PubChem CID 15140897) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is N,N-bis(2-nitroethyl)cyclohexanamine.

Molecular Properties

Compound NameN,N-bis(2-nitroethyl)cyclohexanamine
PubChem CID15140897
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC NameN,N-bis(2-nitroethyl)cyclohexanamine
SMILESO=[N+]([O-])CCN(CC[N+](=O)[O-])C1CCCCC1
InChIInChI=1S/C10H19N3O4/c14-12(15)8-6-11(7-9-13(16)17)10-4-2-1-3-5-10/h10H,1-9H2
InChIKeyPTPJUUACOWRUSF-UHFFFAOYSA-N
XLogP1.17
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-bis(2-nitroethyl)cyclohexanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-nitroethyl)cyclohexanamine?
The IUPAC name of N,N-bis(2-nitroethyl)cyclohexanamine (CID 15140897) is N,N-bis(2-nitroethyl)cyclohexanamine.
What is the SMILES notation for N,N-bis(2-nitroethyl)cyclohexanamine?
The canonical SMILES for N,N-bis(2-nitroethyl)cyclohexanamine is O=[N+]([O-])CCN(CC[N+](=O)[O-])C1CCCCC1.
What is the InChIKey of N,N-bis(2-nitroethyl)cyclohexanamine?
The InChIKey is PTPJUUACOWRUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-12(15)8-6-11(7-9-13(16)17)10-4-2-1-3-5-10/h10H,1-9H2.
What are the key properties of N,N-bis(2-nitroethyl)cyclohexanamine?
N,N-bis(2-nitroethyl)cyclohexanamine has a molecular weight of 245.28 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-nitroethyl)cyclohexanamine is sourced from PubChem (CID 15140897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).