N-(2-prop-2-enoxyethyl)heptan-2-amine

C12H25NO — CID 62571290

IUPACN-(2-prop-2-enoxyethyl)heptan-2-amine
SMILESC=CCOCCNC(C)CCCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-8-12(3)13-9-11-14-10-5-2/h5,12-13H,2,4,6-11H2,1,3H3
InChIKeyUHPYAPASSRNQHV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds10

About N-(2-prop-2-enoxyethyl)heptan-2-amine

N-(2-prop-2-enoxyethyl)heptan-2-amine (PubChem CID 62571290) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-prop-2-enoxyethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(2-prop-2-enoxyethyl)heptan-2-amine
PubChem CID62571290
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-prop-2-enoxyethyl)heptan-2-amine
SMILESC=CCOCCNC(C)CCCCC
InChIInChI=1S/C12H25NO/c1-4-6-7-8-12(3)13-9-11-14-10-5-2/h5,12-13H,2,4,6-11H2,1,3H3
InChIKeyUHPYAPASSRNQHV-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
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-prop-2-enoxyethyl)heptan-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-prop-2-enoxyethyl)heptan-2-amine?
The IUPAC name of N-(2-prop-2-enoxyethyl)heptan-2-amine (CID 62571290) is N-(2-prop-2-enoxyethyl)heptan-2-amine.
What is the SMILES notation for N-(2-prop-2-enoxyethyl)heptan-2-amine?
The canonical SMILES for N-(2-prop-2-enoxyethyl)heptan-2-amine is C=CCOCCNC(C)CCCCC.
What is the InChIKey of N-(2-prop-2-enoxyethyl)heptan-2-amine?
The InChIKey is UHPYAPASSRNQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-7-8-12(3)13-9-11-14-10-5-2/h5,12-13H,2,4,6-11H2,1,3H3.
What are the key properties of N-(2-prop-2-enoxyethyl)heptan-2-amine?
N-(2-prop-2-enoxyethyl)heptan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enoxyethyl)heptan-2-amine is sourced from PubChem (CID 62571290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).