1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine

C15H31NO — CID 103168427

IUPAC1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
SMILESCCCCCC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C15H31NO/c1-4-7-8-9-14(16-5-2)10-13-11-15(12-13)17-6-3/h13-16H,4-12H2,1-3H3
InChIKeySFIRCYZCOCUWQO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine

1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine (PubChem CID 103168427) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
PubChem CID103168427
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine
SMILESCCCCCC(CC1CC(OCC)C1)NCC
InChIInChI=1S/C15H31NO/c1-4-7-8-9-14(16-5-2)10-13-11-15(12-13)17-6-3/h13-16H,4-12H2,1-3H3
InChIKeySFIRCYZCOCUWQO-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-(3-ethoxycyclobutyl)-N-propylhept-6-yn-2-amine
CID 103169441
1-cyclohexyl-N-ethylheptan-2-amine
CID 115837188
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
1-(3-ethoxycyclobutyl)-N-ethylhex-4-yn-2-amine
CID 103168344
N-ethylhexadecan-4-amine
CID 63413885
N-ethyltetradecan-7-amine
CID 87847195
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylhexan-2-amine
CID 114013601
2-(ethylamino)nonan-1-ol
CID 61050713
1-(3-ethoxycyclobutyl)-N-ethyl-3-(4-methoxyphenyl)propan-2-amine
CID 103164130

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine (CID 103168427) is 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine is CCCCCC(CC1CC(OCC)C1)NCC.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine?
The InChIKey is SFIRCYZCOCUWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-8-9-14(16-5-2)10-13-11-15(12-13)17-6-3/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine?
1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-N-ethylheptan-2-amine is sourced from PubChem (CID 103168427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).