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

C16H29NO — CID 63416317

IUPAC3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccco1
InChIInChI=1S/C16H29NO/c1-4-7-9-14(6-3)13-15(17-11-5-2)16-10-8-12-18-16/h8,10,12,14-15,17H,4-7,9,11,13H2,1-3H3
InChIKeySSAIFFJCLNVIPM-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.93
Rot. Bonds10

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

3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine (PubChem CID 63416317) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
PubChem CID63416317
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine
SMILESCCCCC(CC)CC(NCCC)c1ccco1
InChIInChI=1S/C16H29NO/c1-4-7-9-14(6-3)13-15(17-11-5-2)16-10-8-12-18-16/h8,10,12,14-15,17H,4-7,9,11,13H2,1-3H3
InChIKeySSAIFFJCLNVIPM-UHFFFAOYSA-N
XLogP4.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
1-(furan-2-yl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63833258
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
3-ethyl-1-(4-fluorophenyl)-N-propylheptan-1-amine
CID 63414460
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
CID 63414016
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
N-[2-(2-bromophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 55104076
1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
1-(2-bromo-5-methylphenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806096

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine?
The IUPAC name of 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine (CID 63416317) is 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine?
The canonical SMILES for 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine is CCCCC(CC)CC(NCCC)c1ccco1.
What is the InChIKey of 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine?
The InChIKey is SSAIFFJCLNVIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-7-9-14(6-3)13-15(17-11-5-2)16-10-8-12-18-16/h8,10,12,14-15,17H,4-7,9,11,13H2,1-3H3.
What are the key properties of 3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine?
3-ethyl-1-(furan-2-yl)-N-propylheptan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 4.93, 10 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-propylheptan-1-amine is sourced from PubChem (CID 63416317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).