1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine

C14H25NO — CID 103168344

IUPAC1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine
SMILESCC#CCC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C14H25NO/c1-4-7-8-13(15-5-2)9-12-10-14(11-12)16-6-3/h12-15H,5-6,8-11H2,1-3H3
InChIKeyCAXCPHCJCRAWLO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds7

About 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine

1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine (PubChem CID 103168344) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine
PubChem CID103168344
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine
SMILESCC#CCC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C14H25NO/c1-4-7-8-13(15-5-2)9-12-10-14(11-12)16-6-3/h12-15H,5-6,8-11H2,1-3H3
InChIKeyCAXCPHCJCRAWLO-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine (CID 103168344) is 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine is CC#CCC(CC1CC(OCC)C1)NCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine?
The InChIKey is CAXCPHCJCRAWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-7-8-13(15-5-2)9-12-10-14(11-12)16-6-3/h12-15H,5-6,8-11H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine?
1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine is sourced from PubChem (CID 103168344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).