4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol

C11H22N4O — CID 103897704

IUPAC4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
SMILESCn1nncc1CNCC(C)(C)CCCO
InChIInChI=1S/C11H22N4O/c1-11(2,5-4-6-16)9-12-7-10-8-13-14-15(10)3/h8,12,16H,4-7,9H2,1-3H3
InChIKeyQQIZJHHGZLJYGM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.70
Rot. Bonds7

About 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol

4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol (PubChem CID 103897704) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
PubChem CID103897704
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
SMILESCn1nncc1CNCC(C)(C)CCCO
InChIInChI=1S/C11H22N4O/c1-11(2,5-4-6-16)9-12-7-10-8-13-14-15(10)3/h8,12,16H,4-7,9H2,1-3H3
InChIKeyQQIZJHHGZLJYGM-UHFFFAOYSA-N
XLogP0.70
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(Aminomethyl)triazol-1-yl]pentan-1-ol
CID 62227734
5-[4-(Methylaminomethyl)triazol-1-yl]pentan-1-ol
CID 66213841
4-[4-(Methylaminomethyl)triazol-1-yl]butan-1-ol
CID 66214037
1-[4-(Aminomethyl)triazol-1-yl]-4-methylpentan-2-ol
CID 135209710
4-[[4-(Aminomethyl)triazol-1-yl]methyl]-2-ethyl-2,4-dimethylhexan-1-ol
CID 157038707
5-[4-(Aminomethyl)triazol-1-yl]-2,2,4,4-tetramethylpentan-1-ol
CID 166838064
hydrogen peroxide;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine
CID 167448047
ethane;2-methylpropan-1-ol;N-[[1-(2,2,4-trimethylpentyl)triazol-4-yl]methyl]propan-2-amine
CID 167491168
4,4-Dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]triazol-1-yl]pentan-2-amine;2-methylpropan-1-ol
CID 178007618
4-Methyl-2-[(1-methyltriazol-4-yl)methylamino]pentan-1-ol
CID 62755459
N-[(1-methyltriazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 62755634
[1-[(1-Methyltriazol-4-yl)methylamino]cyclopentyl]methanol
CID 62756525

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol (CID 103897704) is 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol is Cn1nncc1CNCC(C)(C)CCCO.
What is the InChIKey of 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is QQIZJHHGZLJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-11(2,5-4-6-16)9-12-7-10-8-13-14-15(10)3/h8,12,16H,4-7,9H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 226.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103897704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).