N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine

C18H29N3 — CID 81012209

IUPACN-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
SMILESCCn1nc(CC(C)CCNC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-6-21-17-10-8-7-9-15(17)16(20-21)13-14(2)11-12-19-18(3,4)5/h7-10,14,19H,6,11-13H2,1-5H3
InChIKeyCKJKQFAKDBSTNN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.01
Rot. Bonds6

About N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine

N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine (PubChem CID 81012209) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
PubChem CID81012209
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine
SMILESCCn1nc(CC(C)CCNC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-6-21-17-10-8-7-9-15(17)16(20-21)13-14(2)11-12-19-18(3,4)5/h7-10,14,19H,6,11-13H2,1-5H3
InChIKeyCKJKQFAKDBSTNN-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(chloromethyl)-3,3-dimethylbutyl]-1-ethylindazole
CID 83139466
1-(tert-butylamino)-3-(1-ethylindazol-3-yl)-2-methylpropan-2-ol
CID 66037989
1-(1-ethylindazol-3-yl)-4-methylhexan-2-ol
CID 115813664
1-(1-ethylindazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115813657
2-[(1-ethylindazol-3-yl)methyl]-4-methylpentan-1-ol
CID 66059172
3-[2-(chloromethyl)pentyl]-1-ethylindazole
CID 66036339
2-methyl-N-[[1-(4-methylpentyl)indazol-3-yl]methyl]propan-2-amine
CID 83149526
5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
CID 104879529
1-(1-ethylindazol-3-yl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712988
N-tert-butyl-3-methyl-4-phenylbutan-1-amine
CID 81018858
4-(1-ethylindazol-3-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346080
4-(1-ethylindazol-3-yl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443594

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine (CID 81012209) is N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine is CCn1nc(CC(C)CCNC(C)(C)C)c2ccccc21.
What is the InChIKey of N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine?
The InChIKey is CKJKQFAKDBSTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-21-17-10-8-7-9-15(17)16(20-21)13-14(2)11-12-19-18(3,4)5/h7-10,14,19H,6,11-13H2,1-5H3.
What are the key properties of N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine?
N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1-ethylindazol-3-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 81012209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).