N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine

C10H21NO — CID 66045504

IUPACN-[2-(2-methylidenebutoxy)ethyl]propan-2-amine
SMILESC=C(CC)COCCNC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4)8-12-7-6-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMNNTVNWVCSIOFW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine

N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine (PubChem CID 66045504) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylidenebutoxy)ethyl]propan-2-amine
PubChem CID66045504
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[2-(2-methylidenebutoxy)ethyl]propan-2-amine
SMILESC=C(CC)COCCNC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4)8-12-7-6-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyMNNTVNWVCSIOFW-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine 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-[2-(2-methylidenebutoxy)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine (CID 66045504) is N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine is C=C(CC)COCCNC(C)C.
What is the InChIKey of N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine?
The InChIKey is MNNTVNWVCSIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(4)8-12-7-6-11-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine?
N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylidenebutoxy)ethyl]propan-2-amine is sourced from PubChem (CID 66045504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).