4-(3-methylbut-3-enoxy)pentan-1-amine

C10H21NO — CID 114470669

IUPAC4-(3-methylbut-3-enoxy)pentan-1-amine
SMILESC=C(C)CCOC(C)CCCN
InChIInChI=1S/C10H21NO/c1-9(2)6-8-12-10(3)5-4-7-11/h10H,1,4-8,11H2,2-3H3
InChIKeyNPQCLPQAMPKFFT-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.10
Rot. Bonds7

About 4-(3-methylbut-3-enoxy)pentan-1-amine

4-(3-methylbut-3-enoxy)pentan-1-amine (PubChem CID 114470669) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(3-methylbut-3-enoxy)pentan-1-amine.

Molecular Properties

Compound Name4-(3-methylbut-3-enoxy)pentan-1-amine
PubChem CID114470669
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(3-methylbut-3-enoxy)pentan-1-amine
SMILESC=C(C)CCOC(C)CCCN
InChIInChI=1S/C10H21NO/c1-9(2)6-8-12-10(3)5-4-7-11/h10H,1,4-8,11H2,2-3H3
InChIKeyNPQCLPQAMPKFFT-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-But-3-enoxypentan-1-amine
CID 62443218
4-Pent-4-enoxypentan-1-amine
CID 79114923
2-But-3-enoxypentan-1-amine
CID 83046610
6-(3-Methylbut-3-enoxy)hexan-1-amine
CID 114470642
2-(3-Methylbut-3-enoxy)propan-1-amine
CID 114470681
N-tert-butyl-4-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470689
2-(3-Methylbut-3-enoxy)butan-1-amine
CID 114470731
4-(3-Methylbut-3-enoxy)butan-1-amine
CID 114470736
5-(3-Methylbut-3-enoxy)pentan-1-amine
CID 114470775
4-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
CID 114470779
N-ethyl-4-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470808
2-(3-Methylbut-3-enoxy)pentan-1-amine
CID 114470821

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enoxy)pentan-1-amine?
The IUPAC name of 4-(3-methylbut-3-enoxy)pentan-1-amine (CID 114470669) is 4-(3-methylbut-3-enoxy)pentan-1-amine.
What is the SMILES notation for 4-(3-methylbut-3-enoxy)pentan-1-amine?
The canonical SMILES for 4-(3-methylbut-3-enoxy)pentan-1-amine is C=C(C)CCOC(C)CCCN.
What is the InChIKey of 4-(3-methylbut-3-enoxy)pentan-1-amine?
The InChIKey is NPQCLPQAMPKFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-8-12-10(3)5-4-7-11/h10H,1,4-8,11H2,2-3H3.
What are the key properties of 4-(3-methylbut-3-enoxy)pentan-1-amine?
4-(3-methylbut-3-enoxy)pentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enoxy)pentan-1-amine is sourced from PubChem (CID 114470669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).