N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine

C12H21NO2 — CID 175242584

IUPACN-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine
SMILESCNOC(C)(C)C(C)(OC)C1=CC=CC1
InChIInChI=1S/C12H21NO2/c1-11(2,15-13-4)12(3,14-5)10-8-6-7-9-10/h6-8,13H,9H2,1-5H3
InChIKeyOSSBBQKBHAYXNR-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.21
Rot. Bonds5

About N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine

N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine (PubChem CID 175242584) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine.

Molecular Properties

Compound NameN-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine
PubChem CID175242584
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine
SMILESCNOC(C)(C)C(C)(OC)C1=CC=CC1
InChIInChI=1S/C12H21NO2/c1-11(2,15-13-4)12(3,14-5)10-8-6-7-9-10/h6-8,13H,9H2,1-5H3
InChIKeyOSSBBQKBHAYXNR-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine 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-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine?
The IUPAC name of N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine (CID 175242584) is N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine.
What is the SMILES notation for N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine?
The canonical SMILES for N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine is CNOC(C)(C)C(C)(OC)C1=CC=CC1.
What is the InChIKey of N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine?
The InChIKey is OSSBBQKBHAYXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2,15-13-4)12(3,14-5)10-8-6-7-9-10/h6-8,13H,9H2,1-5H3.
What are the key properties of N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine?
N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine has a molecular weight of 211.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopenta-1,3-dien-1-yl-3-methoxy-2-methylbutan-2-yl)oxymethanamine is sourced from PubChem (CID 175242584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).