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

C10H19N5O — CID 62735400

IUPACN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CC1CCCO1
InChIInChI=1S/C10H19N5O/c1-2-5-11-7-10-12-13-14-15(10)8-9-4-3-6-16-9/h9,11H,2-8H2,1H3
InChIKeyBOJLPTWNQWOAOW-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.35
Rot. Bonds6

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

N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 62735400) 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-1-amine.

Molecular Properties

Compound NameN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID62735400
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1CC1CCCO1
InChIInChI=1S/C10H19N5O/c1-2-5-11-7-10-12-13-14-15(10)8-9-4-3-6-16-9/h9,11H,2-8H2,1H3
InChIKeyBOJLPTWNQWOAOW-UHFFFAOYSA-N
XLogP0.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
CID 16189615
1-Methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209519
1-[[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine
CID 3173809
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl]-1-(3-fluoropropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 109863023
1-Methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 3209467
1-Ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3209476
1-Methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3209477
1-[[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]methyl]azepane
CID 3697764
1-[[1-(Oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine chloride
CID 53350448
1-methyl-4-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 857134
1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 857135
1-methyl-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 857136

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine (CID 62735400) is N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1CC1CCCO1.
What is the InChIKey of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is BOJLPTWNQWOAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-5-11-7-10-12-13-14-15(10)8-9-4-3-6-16-9/h9,11H,2-8H2,1H3.
What are the key properties of N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 0.35, 6 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-1-amine is sourced from PubChem (CID 62735400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).