N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine

C13H25N5O — CID 103086194

IUPACN-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CCOC1CCCC1
InChIInChI=1S/C13H25N5O/c1-3-8-14-11(2)13-15-16-17-18(13)9-10-19-12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyKXPIMXIUMBHBEB-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.69
Rot. Bonds8

About N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine

N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine (PubChem CID 103086194) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
PubChem CID103086194
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnnn1CCOC1CCCC1
InChIInChI=1S/C13H25N5O/c1-3-8-14-11(2)13-15-16-17-18(13)9-10-19-12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3
InChIKeyKXPIMXIUMBHBEB-UHFFFAOYSA-N
XLogP1.69
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine (CID 103086194) is N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1nnnn1CCOC1CCCC1.
What is the InChIKey of N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine?
The InChIKey is KXPIMXIUMBHBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-8-14-11(2)13-15-16-17-18(13)9-10-19-12-6-4-5-7-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine?
N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 103086194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).