4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol

C8H17N5O — CID 63150029

IUPAC4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol
SMILESCC(C)CC(CO)Nc1nnnn1C
InChIInChI=1S/C8H17N5O/c1-6(2)4-7(5-14)9-8-10-11-12-13(8)3/h6-7,14H,4-5H2,1-3H3,(H,9,10,12)
InChIKeyNNGCDVCSAJKILP-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.03
Rot. Bonds5

About 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol

4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol (PubChem CID 63150029) has the molecular formula C8H17N5O and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol
PubChem CID63150029
Molecular FormulaC8H17N5O
Molecular Weight199.26 g/mol
Exact Mass199.14
IUPAC Name4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol
SMILESCC(C)CC(CO)Nc1nnnn1C
InChIInChI=1S/C8H17N5O/c1-6(2)4-7(5-14)9-8-10-11-12-13(8)3/h6-7,14H,4-5H2,1-3H3,(H,9,10,12)
InChIKeyNNGCDVCSAJKILP-UHFFFAOYSA-N
XLogP0.03
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol (CID 63150029) is 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol is CC(C)CC(CO)Nc1nnnn1C.
What is the InChIKey of 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol?
The InChIKey is NNGCDVCSAJKILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O/c1-6(2)4-7(5-14)9-8-10-11-12-13(8)3/h6-7,14H,4-5H2,1-3H3,(H,9,10,12).
What are the key properties of 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol?
4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol has a molecular weight of 199.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methyltetrazol-5-yl)amino]pentan-1-ol is sourced from PubChem (CID 63150029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).