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

C11H23N3O2 — CID 19093124

IUPACN'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
SMILESCC(C)(CNCCNC1CCCC1)[N+](=O)[O-]
InChIInChI=1S/C11H23N3O2/c1-11(2,14(15)16)9-12-7-8-13-10-5-3-4-6-10/h10,12-13H,3-9H2,1-2H3
InChIKeyJHHPDLIQBNRGKM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.16
Rot. Bonds7

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

N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine (PubChem CID 19093124) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
PubChem CID19093124
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine
SMILESCC(C)(CNCCNC1CCCC1)[N+](=O)[O-]
InChIInChI=1S/C11H23N3O2/c1-11(2,14(15)16)9-12-7-8-13-10-5-3-4-6-10/h10,12-13H,3-9H2,1-2H3
InChIKeyJHHPDLIQBNRGKM-UHFFFAOYSA-N
XLogP1.16
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.16
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'}

Analyze N'-cyclopentyl-N-(2-methyl-2-nitropropyl)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

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine (CID 19093124) is N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine is CC(C)(CNCCNC1CCCC1)[N+](=O)[O-].
What is the InChIKey of N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
The InChIKey is JHHPDLIQBNRGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,14(15)16)9-12-7-8-13-10-5-3-4-6-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine?
N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine has a molecular weight of 229.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2-methyl-2-nitropropyl)ethane-1,2-diamine is sourced from PubChem (CID 19093124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).