N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine

C14H27NO — CID 103272931

IUPACN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESC/C=C/COC1(CCNCC(C)C)CCC1
InChIInChI=1S/C14H27NO/c1-4-5-11-16-14(7-6-8-14)9-10-15-12-13(2)3/h4-5,13,15H,6-12H2,1-3H3/b5-4+
InChIKeyRREBNCHVPYXBSJ-SNAWJCMRSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds8

About N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine

N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine (PubChem CID 103272931) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
PubChem CID103272931
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
SMILESC/C=C/COC1(CCNCC(C)C)CCC1
InChIInChI=1S/C14H27NO/c1-4-5-11-16-14(7-6-8-14)9-10-15-12-13(2)3/h4-5,13,15H,6-12H2,1-3H3/b5-4+
InChIKeyRREBNCHVPYXBSJ-SNAWJCMRSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine (CID 103272931) is N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine is C/C=C/COC1(CCNCC(C)C)CCC1.
What is the InChIKey of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
The InChIKey is RREBNCHVPYXBSJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-5-11-16-14(7-6-8-14)9-10-15-12-13(2)3/h4-5,13,15H,6-12H2,1-3H3/b5-4+.
What are the key properties of N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine?
N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-but-2-enoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103272931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).