3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine

C14H25NO — CID 145285918

IUPAC3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine
SMILESC=C(CCNC(C)C)COCC#CCCC
InChIInChI=1S/C14H25NO/c1-5-6-7-8-11-16-12-14(4)9-10-15-13(2)3/h13,15H,4-6,9-12H2,1-3H3
InChIKeyAWBYCXMQJGTROF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds8

About 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine

3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine (PubChem CID 145285918) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine
PubChem CID145285918
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine
SMILESC=C(CCNC(C)C)COCC#CCCC
InChIInChI=1S/C14H25NO/c1-5-6-7-8-11-16-12-14(4)9-10-15-13(2)3/h13,15H,4-6,9-12H2,1-3H3
InChIKeyAWBYCXMQJGTROF-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine;molecular hydrogen
CID 145285917
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine;molecular hydrogen
CID 166111982
3-(2-methylidenebutoxy)-N-propan-2-ylpropan-1-amine
CID 66045505
2-(3-methylbut-3-enoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075151
4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
CID 114470721
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983

Frequently Asked Questions

What is the IUPAC name of 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine (CID 145285918) is 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine is C=C(CCNC(C)C)COCC#CCCC.
What is the InChIKey of 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is AWBYCXMQJGTROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-8-11-16-12-14(4)9-10-15-13(2)3/h13,15H,4-6,9-12H2,1-3H3.
What are the key properties of 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-2-ynoxymethyl)-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 145285918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).