6-(3-methylbut-3-enoxy)hexan-1-amine

C11H23NO — CID 114470642

IUPAC6-(3-methylbut-3-enoxy)hexan-1-amine
SMILESC=C(C)CCOCCCCCCN
InChIInChI=1S/C11H23NO/c1-11(2)7-10-13-9-6-4-3-5-8-12/h1,3-10,12H2,2H3
InChIKeyFLKMCCHVVWIMEY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds9

About 6-(3-methylbut-3-enoxy)hexan-1-amine

6-(3-methylbut-3-enoxy)hexan-1-amine (PubChem CID 114470642) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-(3-methylbut-3-enoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(3-methylbut-3-enoxy)hexan-1-amine
PubChem CID114470642
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-(3-methylbut-3-enoxy)hexan-1-amine
SMILESC=C(C)CCOCCCCCCN
InChIInChI=1S/C11H23NO/c1-11(2)7-10-13-9-6-4-3-5-8-12/h1,3-10,12H2,2H3
InChIKeyFLKMCCHVVWIMEY-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
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'}

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Related Compounds

6-But-3-enoxyhexan-1-amine
CID 64292553
6-(2-Methylprop-2-enoxy)hexan-1-amine
CID 88851944
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529
1-Methoxy-2,5-dimethylhex-5-en-1-amine
CID 123303711
3-(2,3,6,7-Tetrahydrooxepin-4-yl)propan-1-amine
CID 153027868
1-(5-Methylhex-5-enoxy)ethanamine
CID 155085112
13-Methoxy-11-methylidenetridecan-1-amine
CID 156532604
2,2-Dimethyl-4-methylidene-6-propoxyhexan-1-amine
CID 166831255
4-Methylidene-6-(2-methylpropoxy)hexan-1-amine
CID 166831456
2-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-5-yl]ethanamine
CID 173991585
4-Methylidene-1-propoxyhexan-2-amine
CID 66038270
1-Methoxy-4-methylidenehexan-2-amine
CID 66039700

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-3-enoxy)hexan-1-amine?
The IUPAC name of 6-(3-methylbut-3-enoxy)hexan-1-amine (CID 114470642) is 6-(3-methylbut-3-enoxy)hexan-1-amine.
What is the SMILES notation for 6-(3-methylbut-3-enoxy)hexan-1-amine?
The canonical SMILES for 6-(3-methylbut-3-enoxy)hexan-1-amine is C=C(C)CCOCCCCCCN.
What is the InChIKey of 6-(3-methylbut-3-enoxy)hexan-1-amine?
The InChIKey is FLKMCCHVVWIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2)7-10-13-9-6-4-3-5-8-12/h1,3-10,12H2,2H3.
What are the key properties of 6-(3-methylbut-3-enoxy)hexan-1-amine?
6-(3-methylbut-3-enoxy)hexan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 9 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)hexan-1-amine is sourced from PubChem (CID 114470642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).