2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide

C14H27N5O2 — CID 66268924

IUPAC2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NCc1cn(CCCO)nn1)C(=O)N(C)C
InChIInChI=1S/C14H27N5O2/c1-11(2)8-13(14(21)18(3)4)15-9-12-10-19(17-16-12)6-5-7-20/h10-11,13,15,20H,5-9H2,1-4H3
InChIKeyFPDDIKPNNROBDI-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.25
Rot. Bonds9

About 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide

2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide (PubChem CID 66268924) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide
PubChem CID66268924
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NCc1cn(CCCO)nn1)C(=O)N(C)C
InChIInChI=1S/C14H27N5O2/c1-11(2)8-13(14(21)18(3)4)15-9-12-10-19(17-16-12)6-5-7-20/h10-11,13,15,20H,5-9H2,1-4H3
InChIKeyFPDDIKPNNROBDI-UHFFFAOYSA-N
XLogP0.25
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylpropanamide
CID 103107020
3-[4-[(4-methylpentan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269304
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]propan-1-ol
CID 66269866
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
3-[4-[[1-(diethylamino)propan-2-ylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269515
3-[4-[(octan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268933
3-[4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81405616
3-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]triazol-1-yl]propan-1-ol
CID 81348534
3-[4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]triazol-1-yl]propan-1-ol
CID 66269880
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736
N,N,4-trimethyl-2-(pyridin-2-ylmethylamino)pentanamide
CID 43675023
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide (CID 66268924) is 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide is CC(C)CC(NCc1cn(CCCO)nn1)C(=O)N(C)C.
What is the InChIKey of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide?
The InChIKey is FPDDIKPNNROBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-11(2)8-13(14(21)18(3)4)15-9-12-10-19(17-16-12)6-5-7-20/h10-11,13,15,20H,5-9H2,1-4H3.
What are the key properties of 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide?
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide has a molecular weight of 297.40 g/mol, XLogP of 0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 66268924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).