N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine

C9H17N5O — CID 80715224

IUPACN-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C1CCOC1
InChIInChI=1S/C9H17N5O/c1-7(2)10-5-9-11-12-13-14(9)8-3-4-15-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyYKWNNUVPBARERQ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.13
Rot. Bonds4

About N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine

N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 80715224) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID80715224
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1C1CCOC1
InChIInChI=1S/C9H17N5O/c1-7(2)10-5-9-11-12-13-14(9)8-3-4-15-6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyYKWNNUVPBARERQ-UHFFFAOYSA-N
XLogP0.13
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine (CID 80715224) is N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1C1CCOC1.
What is the InChIKey of N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is YKWNNUVPBARERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(2)10-5-9-11-12-13-14(9)8-3-4-15-6-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-3-yl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 80715224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).