5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine

C14H29NO — CID 114470810

IUPAC5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESC=C(C)CCOCCCCCNCC(C)C
InChIInChI=1S/C14H29NO/c1-13(2)8-11-16-10-7-5-6-9-15-12-14(3)4/h14-15H,1,5-12H2,2-4H3
InChIKeyZSKLXAUIIOKIAA-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.39
Rot. Bonds11

About 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine

5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 114470810) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID114470810
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESC=C(C)CCOCCCCCNCC(C)C
InChIInChI=1S/C14H29NO/c1-13(2)8-11-16-10-7-5-6-9-15-12-14(3)4/h14-15H,1,5-12H2,2-4H3
InChIKeyZSKLXAUIIOKIAA-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.39
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

(3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine
CID 177010011
3-Methylidene-5-(propylamino)pentan-1-ol
CID 89263797
N-(3,4-dihydro-2H-pyran-5-ylmethyl)propan-1-amine
CID 104058859
N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470739
5-but-3-enoxy-N-methylpentan-1-amine
CID 62443233
5-but-3-enoxy-N-ethylpentan-1-amine
CID 62443234
5-but-3-enoxy-N-propylpentan-1-amine
CID 62443235
5-but-3-enoxy-N-propan-2-ylpentan-1-amine
CID 62443236
5-but-3-enoxy-N-tert-butylpentan-1-amine
CID 62443238
5-but-3-enoxy-N-(2-methylpropyl)pentan-1-amine
CID 62443239
6-but-3-enoxy-N-(2-methylpropyl)hexan-1-amine
CID 64292760
2-methylidene-N-(oxan-3-ylmethyl)butan-1-amine
CID 66047355

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine (CID 114470810) is 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine is C=C(C)CCOCCCCCNCC(C)C.
What is the InChIKey of 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is ZSKLXAUIIOKIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2)8-11-16-10-7-5-6-9-15-12-14(3)4/h14-15H,1,5-12H2,2-4H3.
What are the key properties of 5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine?
5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.39, 11 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)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 114470810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).