6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol

C14H27N3O — CID 103924056

IUPAC6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
SMILESCC(C)(C)n1cc(CNCCCCCCO)cn1
InChIInChI=1S/C14H27N3O/c1-14(2,3)17-12-13(11-16-17)10-15-8-6-4-5-7-9-18/h11-12,15,18H,4-10H2,1-3H3
InChIKeySPNHXJKNOAARKA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.28
Rot. Bonds8

About 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol

6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol (PubChem CID 103924056) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
PubChem CID103924056
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol
SMILESCC(C)(C)n1cc(CNCCCCCCO)cn1
InChIInChI=1S/C14H27N3O/c1-14(2,3)17-12-13(11-16-17)10-15-8-6-4-5-7-9-18/h11-12,15,18H,4-10H2,1-3H3
InChIKeySPNHXJKNOAARKA-UHFFFAOYSA-N
XLogP2.28
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923032
5-[(1-tert-butylpyrazol-4-yl)methylamino]pentanamide
CID 106234065
N-[(1-tert-butylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 43765327
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
CID 112729982
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352384
N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634219
2-(azepan-1-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine
CID 60956791
2-[(1-tert-butylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 61247444
4-[(1-tert-butylpyrazol-4-yl)methylamino]-1-methoxybutan-2-ol
CID 103876413
4-[(1-tert-butylpyrazol-4-yl)methylamino]benzoic acid
CID 43774375

Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol (CID 103924056) is 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol is CC(C)(C)n1cc(CNCCCCCCO)cn1.
What is the InChIKey of 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol?
The InChIKey is SPNHXJKNOAARKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)17-12-13(11-16-17)10-15-8-6-4-5-7-9-18/h11-12,15,18H,4-10H2,1-3H3.
What are the key properties of 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol?
6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butylpyrazol-4-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 103924056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).