3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine

C15H27NOS — CID 64609276

IUPAC3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)SCc1ccco1
InChIInChI=1S/C15H27NOS/c1-4-8-14(16-10-5-2)15(6-3)18-12-13-9-7-11-17-13/h7,9,11,14-16H,4-6,8,10,12H2,1-3H3
InChIKeyVETABSKUEJDPHN-UHFFFAOYSA-N
MW269.45 g/mol
LogP4.46
Rot. Bonds10

About 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine

3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine (PubChem CID 64609276) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine
PubChem CID64609276
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)SCc1ccco1
InChIInChI=1S/C15H27NOS/c1-4-8-14(16-10-5-2)15(6-3)18-12-13-9-7-11-17-13/h7,9,11,14-16H,4-6,8,10,12H2,1-3H3
InChIKeyVETABSKUEJDPHN-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-4-methyl-N-propylhexan-3-amine
CID 105170638
N-propyl-3-propylsulfanylheptan-4-amine
CID 64615304
2-(1-ethoxybutylsulfanylmethyl)furan
CID 141009482
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
1-(furan-2-yl)-N-propyldodecan-3-amine
CID 105124522
N-[2-(furan-2-yl)ethyl]-2-methylpentan-3-amine
CID 43776470
1-(furan-2-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720645
1-(furan-2-yl)-N,2-dipropylpentan-1-amine
CID 82984685

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine?
The IUPAC name of 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine (CID 64609276) is 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine.
What is the SMILES notation for 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine?
The canonical SMILES for 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine is CCCNC(CCC)C(CC)SCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine?
The InChIKey is VETABSKUEJDPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c1-4-8-14(16-10-5-2)15(6-3)18-12-13-9-7-11-17-13/h7,9,11,14-16H,4-6,8,10,12H2,1-3H3.
What are the key properties of 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine?
3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine has a molecular weight of 269.45 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfanyl)-N-propylheptan-4-amine is sourced from PubChem (CID 64609276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).