2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol

C10H21N5O — CID 107057645

IUPAC2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)Cc1nnn(C)n1
InChIInChI=1S/C10H21N5O/c1-8(2)11-6-5-10(3,16)7-9-12-14-15(4)13-9/h8,11,16H,5-7H2,1-4H3
InChIKeyYNOXJAYKCLOTGA-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.11
Rot. Bonds6

About 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol

2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol (PubChem CID 107057645) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
PubChem CID107057645
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCCC(C)(O)Cc1nnn(C)n1
InChIInChI=1S/C10H21N5O/c1-8(2)11-6-5-10(3,16)7-9-12-14-15(4)13-9/h8,11,16H,5-7H2,1-4H3
InChIKeyYNOXJAYKCLOTGA-UHFFFAOYSA-N
XLogP-0.11
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-3-methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107046138
N-[2-[(2-methyltetrazol-5-yl)methoxy]ethyl]propan-2-amine
CID 107044416
2,3-dimethyl-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107046659
2-(5-bromo-3-methyltriazol-4-yl)-4-(propan-2-ylamino)butan-2-ol
CID 106463854
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-methyltetrazole
CID 107058457
2-methyl-N-[2-(2-methyltetrazol-5-yl)ethyl]propan-2-amine
CID 107049249
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
N,3-dimethyl-4-(2-methyltetrazol-5-yl)butan-2-amine
CID 107044611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol (CID 107057645) is 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol is CC(C)NCCC(C)(O)Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
The InChIKey is YNOXJAYKCLOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-8(2)11-6-5-10(3,16)7-9-12-14-15(4)13-9/h8,11,16H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol?
2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol has a molecular weight of 227.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyltetrazol-5-yl)-4-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 107057645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).