6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine

C15H31NO — CID 114470839

IUPAC6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
SMILESC=C(C)CCOCCCCCCNCC(C)C
InChIInChI=1S/C15H31NO/c1-14(2)9-12-17-11-8-6-5-7-10-16-13-15(3)4/h15-16H,1,5-13H2,2-4H3
InChIKeyOLXLHWGFVCYLCQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.78
Rot. Bonds12

About 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine

6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 114470839) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
PubChem CID114470839
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine
SMILESC=C(C)CCOCCCCCCNCC(C)C
InChIInChI=1S/C15H31NO/c1-14(2)9-12-17-11-8-6-5-7-10-16-13-15(3)4/h15-16H,1,5-13H2,2-4H3
InChIKeyOLXLHWGFVCYLCQ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.78
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 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-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

4-(3-methylbut-3-enoxy)-N-propan-2-ylbutan-1-amine
CID 114470721
4-hexoxy-N-(2-methylpropyl)butan-1-amine
CID 62455139
4-(4-methylpentoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456980
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-(2-heptoxyethyl)-2-methylpropan-1-amine
CID 62457906
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898
4-but-2-enoxy-N-(2-methylpropyl)butan-1-amine
CID 76943518
N,N,2-trimethyl-1-[4-(2-methylpropylamino)butoxy]propan-2-amine
CID 79679402
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine (CID 114470839) is 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine is C=C(C)CCOCCCCCCNCC(C)C.
What is the InChIKey of 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is OLXLHWGFVCYLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-14(2)9-12-17-11-8-6-5-7-10-16-13-15(3)4/h15-16H,1,5-13H2,2-4H3.
What are the key properties of 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine?
6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.78, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-3-enoxy)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 114470839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).