5-(3-methylbut-3-enoxy)pentan-1-amine

C10H21NO — CID 114470775

IUPAC5-(3-methylbut-3-enoxy)pentan-1-amine
SMILESC=C(C)CCOCCCCCN
InChIInChI=1S/C10H21NO/c1-10(2)6-9-12-8-5-3-4-7-11/h1,3-9,11H2,2H3
InChIKeyQDOZILNZPRVLSB-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds8

About 5-(3-methylbut-3-enoxy)pentan-1-amine

5-(3-methylbut-3-enoxy)pentan-1-amine (PubChem CID 114470775) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5-(3-methylbut-3-enoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(3-methylbut-3-enoxy)pentan-1-amine
PubChem CID114470775
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5-(3-methylbut-3-enoxy)pentan-1-amine
SMILESC=C(C)CCOCCCCCN
InChIInChI=1S/C10H21NO/c1-10(2)6-9-12-8-5-3-4-7-11/h1,3-9,11H2,2H3
InChIKeyQDOZILNZPRVLSB-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.10
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

3-(3-Methylbut-3-enoxy)propan-1-amine
CID 114470659
N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470739
3-Methylidene-6-propoxyhexan-1-amine
CID 123283529
4-Methylidene-6-(2-methylpropoxy)hexan-1-amine
CID 166831456
5-But-3-enoxypentan-1-amine
CID 62443066
5-(2-Methylprop-2-enoxy)pentan-1-amine
CID 82352892
N-methyl-6-(3-methylbut-3-enoxy)hexan-1-amine
CID 114470641
6-(3-Methylbut-3-enoxy)hexan-1-amine
CID 114470642
4-(3-Methylbut-3-enoxy)pentan-1-amine
CID 114470669
4-(3-Methylbut-3-enoxy)butan-1-amine
CID 114470736
N-ethyl-5-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470809
5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
CID 114470810

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-3-enoxy)pentan-1-amine?
The IUPAC name of 5-(3-methylbut-3-enoxy)pentan-1-amine (CID 114470775) is 5-(3-methylbut-3-enoxy)pentan-1-amine.
What is the SMILES notation for 5-(3-methylbut-3-enoxy)pentan-1-amine?
The canonical SMILES for 5-(3-methylbut-3-enoxy)pentan-1-amine is C=C(C)CCOCCCCCN.
What is the InChIKey of 5-(3-methylbut-3-enoxy)pentan-1-amine?
The InChIKey is QDOZILNZPRVLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)6-9-12-8-5-3-4-7-11/h1,3-9,11H2,2H3.
What are the key properties of 5-(3-methylbut-3-enoxy)pentan-1-amine?
5-(3-methylbut-3-enoxy)pentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbut-3-enoxy)pentan-1-amine is sourced from PubChem (CID 114470775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).