tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate

C18H29N3O2 — CID 107251370

IUPACtert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCc2cc(N)ccc21
InChIInChI=1S/C18H29N3O2/c1-5-14(11-20-17(22)23-18(2,3)4)21-16-9-6-12-10-13(19)7-8-15(12)16/h7-8,10,14,16,21H,5-6,9,11,19H2,1-4H3,(H,20,22)
InChIKeyNIEFCYZINWSATL-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.15
Rot. Bonds5

About tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate

tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate (PubChem CID 107251370) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
PubChem CID107251370
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Nametert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC1CCc2cc(N)ccc21
InChIInChI=1S/C18H29N3O2/c1-5-14(11-20-17(22)23-18(2,3)4)21-16-9-6-12-10-13(19)7-8-15(12)16/h7-8,10,14,16,21H,5-6,9,11,19H2,1-4H3,(H,20,22)
InChIKeyNIEFCYZINWSATL-UHFFFAOYSA-N
XLogP3.15
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107245207
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]butyl]carbamate
CID 107250839
tert-butyl N-[2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propyl]carbamate
CID 107248561
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
CID 107250248
tert-butyl N-[1-(pentan-2-ylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103730984
1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737102
tert-butyl N-[1-[2-(dimethylamino)propylamino]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 113250513
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-[2-[(2-tert-butylcyclohexyl)amino]butyl]carbamate
CID 107250829

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate (CID 107251370) is tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC1CCc2cc(N)ccc21.
What is the InChIKey of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate?
The InChIKey is NIEFCYZINWSATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-14(11-20-17(22)23-18(2,3)4)21-16-9-6-12-10-13(19)7-8-15(12)16/h7-8,10,14,16,21H,5-6,9,11,19H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate?
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate has a molecular weight of 319.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate is sourced from PubChem (CID 107251370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).