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

C10H19N5O — CID 62735401

IUPACN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CC1CCCO1
InChIInChI=1S/C10H19N5O/c1-8(2)11-6-10-12-13-14-15(10)7-9-4-3-5-16-9/h8-9,11H,3-7H2,1-2H3
InChIKeyMMLOCOZQEBQQMR-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.35
Rot. Bonds5

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

N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62735401) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62735401
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nnnn1CC1CCCO1
InChIInChI=1S/C10H19N5O/c1-8(2)11-6-10-12-13-14-15(10)7-9-4-3-5-16-9/h8-9,11H,3-7H2,1-2H3
InChIKeyMMLOCOZQEBQQMR-UHFFFAOYSA-N
XLogP0.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62735401) is N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1nnnn1CC1CCCO1.
What is the InChIKey of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is MMLOCOZQEBQQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-8(2)11-6-10-12-13-14-15(10)7-9-4-3-5-16-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62735401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).