[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine

C11H23NO — CID 66024632

IUPAC[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine
SMILESCC(C)CCOCCC1(CN)CC1
InChIInChI=1S/C11H23NO/c1-10(2)3-7-13-8-6-11(9-12)4-5-11/h10H,3-9,12H2,1-2H3
InChIKeyCOSHHPWNVOANBX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds7

About [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine

[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine (PubChem CID 66024632) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine
PubChem CID66024632
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine
SMILESCC(C)CCOCCC1(CN)CC1
InChIInChI=1S/C11H23NO/c1-10(2)3-7-13-8-6-11(9-12)4-5-11/h10H,3-9,12H2,1-2H3
InChIKeyCOSHHPWNVOANBX-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine 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 [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine (CID 66024632) is [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine is CC(C)CCOCCC1(CN)CC1.
What is the InChIKey of [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine?
The InChIKey is COSHHPWNVOANBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)3-7-13-8-6-11(9-12)4-5-11/h10H,3-9,12H2,1-2H3.
What are the key properties of [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine?
[1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-methylbutoxy)ethyl]cyclopropyl]methanamine is sourced from PubChem (CID 66024632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).