N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

C11H16ClN5O — CID 107065126

IUPACN-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1ccc(Cl)o1
InChIInChI=1S/C11H16ClN5O/c1-3-6-13-8(9-4-5-10(12)18-9)7-11-14-16-17(2)15-11/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyFPNBUEYZWAQJCG-UHFFFAOYSA-N
MW269.74 g/mol
LogP1.74
Rot. Bonds6

About N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine

N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (PubChem CID 107065126) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
PubChem CID107065126
Molecular FormulaC11H16ClN5O
Molecular Weight269.74 g/mol
Exact Mass269.10
IUPAC NameN-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nnn(C)n1)c1ccc(Cl)o1
InChIInChI=1S/C11H16ClN5O/c1-3-6-13-8(9-4-5-10(12)18-9)7-11-14-16-17(2)15-11/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyFPNBUEYZWAQJCG-UHFFFAOYSA-N
XLogP1.74
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
N-[1-(3-chloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051471
N-[1-(3-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107048347
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620
N-[1-(5-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065341
N-[1-(3,5-dibromophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107978041
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107051286
N-[1-(3-bromo-5-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107049735
1-(5-chlorofuran-2-yl)-3,5-dimethyl-N-propylhexan-1-amine
CID 114201829

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine (CID 107065126) is N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1nnn(C)n1)c1ccc(Cl)o1.
What is the InChIKey of N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is FPNBUEYZWAQJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-3-6-13-8(9-4-5-10(12)18-9)7-11-14-16-17(2)15-11/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine?
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 269.74 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107065126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).