N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

C12H25N5O — CID 62761177

IUPACN-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCn1nnnc1CNC(C)(C)C
InChIInChI=1S/C12H25N5O/c1-5-6-8-18-9-7-17-11(14-15-16-17)10-13-12(2,3)4/h13H,5-10H2,1-4H3
InChIKeyMOFFKDMGJMKSDD-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.38
Rot. Bonds8

About N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62761177) has the molecular formula C12H25N5O and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID62761177
Molecular FormulaC12H25N5O
Molecular Weight255.37 g/mol
Exact Mass255.21
IUPAC NameN-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCOCCn1nnnc1CNC(C)(C)C
InChIInChI=1S/C12H25N5O/c1-5-6-8-18-9-7-17-11(14-15-16-17)10-13-12(2,3)4/h13H,5-10H2,1-4H3
InChIKeyMOFFKDMGJMKSDD-UHFFFAOYSA-N
XLogP1.38
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.38
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-(2-butoxyethyl)tetrazol-5-yl]methanamine
CID 62763678
1-(2-butoxyethyl)tetrazol-5-amine
CID 79507098
1-(2-butoxyethyl)-5-(1-chloroethyl)tetrazole
CID 103084495
N-methyl-1-[1-[2-(3-methylbutoxy)ethyl]tetrazol-5-yl]methanamine
CID 62762419
2-[(1-butyltetrazol-5-yl)methylamino]-2-ethylbutanoic acid
CID 79809474
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]butanoic acid
CID 79791754
2-methyl-2-[(1-propyltetrazol-5-yl)methylamino]pentanoic acid
CID 43619662
(2S)-2-cyclohexyl-2-[(1-propyltetrazol-5-yl)methylamino]propan-1-ol
CID 95635544
2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737935
2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 80586030
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179
1-butyl-5-propyltetrazole
CID 69032145

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine (CID 62761177) is N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is CCCCOCCn1nnnc1CNC(C)(C)C.
What is the InChIKey of N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MOFFKDMGJMKSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O/c1-5-6-8-18-9-7-17-11(14-15-16-17)10-13-12(2,3)4/h13H,5-10H2,1-4H3.
What are the key properties of N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 255.37 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62761177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).