1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine

C15H26ClNO — CID 114201829

IUPAC1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)c1ccc(Cl)o1
InChIInChI=1S/C15H26ClNO/c1-5-8-17-13(10-12(4)9-11(2)3)14-6-7-15(16)18-14/h6-7,11-13,17H,5,8-10H2,1-4H3
InChIKeyYHLUUZIDGZFPLL-UHFFFAOYSA-N
MW271.83 g/mol
LogP5.05
Rot. Bonds8

About 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine

1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine (PubChem CID 114201829) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
PubChem CID114201829
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
SMILESCCCNC(CC(C)CC(C)C)c1ccc(Cl)o1
InChIInChI=1S/C15H26ClNO/c1-5-8-17-13(10-12(4)9-11(2)3)14-6-7-15(16)18-14/h6-7,11-13,17H,5,8-10H2,1-4H3
InChIKeyYHLUUZIDGZFPLL-UHFFFAOYSA-N
XLogP5.05
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorofuran-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 106691831
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
1-(5-chlorofuran-2-yl)-N,3-dimethylbutan-1-amine
CID 112709867
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126
N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
3,5,5-trimethyl-1-(5-methylfuran-2-yl)-N-propylhexan-1-amine
CID 63502641
N-[2-(3-chloro-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
CID 106693463
3,5-dimethyl-N-propyl-1-pyrimidin-2-ylhexan-1-amine
CID 114200836
1-(5-chlorofuran-2-yl)-N-ethylpropan-1-amine
CID 106691408
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620
3-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 63412385

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine (CID 114201829) is 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine is CCCNC(CC(C)CC(C)C)c1ccc(Cl)o1.
What is the InChIKey of 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine?
The InChIKey is YHLUUZIDGZFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-5-8-17-13(10-12(4)9-11(2)3)14-6-7-15(16)18-14/h6-7,11-13,17H,5,8-10H2,1-4H3.
What are the key properties of 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine?
1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine has a molecular weight of 271.83 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 114201829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).