3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine

C14H25NO — CID 105029282

IUPAC3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccco1)NC
InChIInChI=1S/C14H25NO/c1-4-6-8-12(5-2)14(15-3)11-13-9-7-10-16-13/h7,9-10,12,14-15H,4-6,8,11H2,1-3H3
InChIKeyHQRMJTQJKQWCRM-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.63
Rot. Bonds8

About 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine

3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine (PubChem CID 105029282) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
PubChem CID105029282
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine
SMILESCCCCC(CC)C(Cc1ccco1)NC
InChIInChI=1S/C14H25NO/c1-4-6-8-12(5-2)14(15-3)11-13-9-7-10-16-13/h7,9-10,12,14-15H,4-6,8,11H2,1-3H3
InChIKeyHQRMJTQJKQWCRM-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(furan-2-yl)-N-methylpentan-2-amine
CID 105029464
1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 103517029
1-(furan-2-yl)hexan-2-ol
CID 83171633
3-ethyl-1-(2-fluorophenyl)-N-methylheptan-2-amine
CID 63527234
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-2-amine
CID 63528266
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
1-(furan-2-yl)heptan-2-ylhydrazine
CID 105331457
2-(2-ethylbutyl)furan
CID 68844643
1-(furan-2-yl)undecan-2-ylhydrazine
CID 105331486
2-(furan-2-ylmethyl)-N-methylbutan-1-amine
CID 62998864
1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine?
The IUPAC name of 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine (CID 105029282) is 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine.
What is the SMILES notation for 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine?
The canonical SMILES for 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine is CCCCC(CC)C(Cc1ccco1)NC.
What is the InChIKey of 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine?
The InChIKey is HQRMJTQJKQWCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-8-12(5-2)14(15-3)11-13-9-7-10-16-13/h7,9-10,12,14-15H,4-6,8,11H2,1-3H3.
What are the key properties of 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine?
3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(furan-2-yl)-N-methylheptan-2-amine is sourced from PubChem (CID 105029282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).