N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine

C18H35N3 — CID 62725434

IUPACN-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC(C)(C)C)Cc1cnn(CC)c1
InChIInChI=1S/C18H35N3/c1-7-10-11-18(8-2,15-19-17(4,5)6)12-16-13-20-21(9-3)14-16/h13-14,19H,7-12,15H2,1-6H3
InChIKeyVXBPIFZSPFFNCA-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.42
Rot. Bonds9

About N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine

N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine (PubChem CID 62725434) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
PubChem CID62725434
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CNC(C)(C)C)Cc1cnn(CC)c1
InChIInChI=1S/C18H35N3/c1-7-10-11-18(8-2,15-19-17(4,5)6)12-16-13-20-21(9-3)14-16/h13-14,19H,7-12,15H2,1-6H3
InChIKeyVXBPIFZSPFFNCA-UHFFFAOYSA-N
XLogP4.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
CID 62724346
2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-N-methylbutan-1-amine
CID 62723442
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159196
N-tert-butyl-2-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hexan-1-amine
CID 114531445
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
2-[(1-ethylpyrazol-4-yl)methyl]-2-fluoropentan-1-amine
CID 112567934
3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62725751

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine?
The IUPAC name of N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine (CID 62725434) is N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine is CCCCC(CC)(CNC(C)(C)C)Cc1cnn(CC)c1.
What is the InChIKey of N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine?
The InChIKey is VXBPIFZSPFFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-10-11-18(8-2,15-19-17(4,5)6)12-16-13-20-21(9-3)14-16/h13-14,19H,7-12,15H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine?
N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine is sourced from PubChem (CID 62725434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).