tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate

C18H25N3O2 — CID 107238877

IUPACtert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)21-15-9-14(10-15)20-11-12-4-5-16-13(8-12)6-7-19-16/h4-8,14-15,19-20H,9-11H2,1-3H3,(H,21,22)
InChIKeyRLZPHBVHYMJSFN-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.31
Rot. Bonds4

About tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate (PubChem CID 107238877) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
PubChem CID107238877
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)21-15-9-14(10-15)20-11-12-4-5-16-13(8-12)6-7-19-16/h4-8,14-15,19-20H,9-11H2,1-3H3,(H,21,22)
InChIKeyRLZPHBVHYMJSFN-UHFFFAOYSA-N
XLogP3.31
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788
5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylic acid
CID 107239085
methyl 5-[[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]methyl]furan-2-carboxylate
CID 107239036
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[3-[(5-ethylfuran-2-yl)methylamino]cyclobutyl]carbamate
CID 107238985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate (CID 107238877) is tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate?
The InChIKey is RLZPHBVHYMJSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)21-15-9-14(10-15)20-11-12-4-5-16-13(8-12)6-7-19-16/h4-8,14-15,19-20H,9-11H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate has a molecular weight of 315.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 107238877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).