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

C17H27N3O2 — CID 107245207

IUPACtert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCNC1CCc2cc(N)ccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20(4)10-9-19-15-8-5-12-11-13(18)6-7-14(12)15/h6-7,11,15,19H,5,8-10,18H2,1-4H3
InChIKeyMGDIVCIFXQRJDK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.71
Rot. Bonds4

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

tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate (PubChem CID 107245207) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
PubChem CID107245207
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
SMILESCN(CCNC1CCc2cc(N)ccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20(4)10-9-19-15-8-5-12-11-13(18)6-7-14(12)15/h6-7,11,15,19H,5,8-10,18H2,1-4H3
InChIKeyMGDIVCIFXQRJDK-UHFFFAOYSA-N
XLogP2.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107682749
tert-butyl N-[2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 103780562
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethyl]-N-methylcarbamate
CID 107245083
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]butyl]carbamate
CID 107251370
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
tert-butyl N-[2-(3,4-dihydro-1H-isothiochromen-4-ylamino)ethyl]-N-methylcarbamate
CID 103780632
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106275433
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 83116527
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
tert-butyl N-[1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103731005

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate (CID 107245207) is tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate is CN(CCNC1CCc2cc(N)ccc21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
The InChIKey is MGDIVCIFXQRJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20(4)10-9-19-15-8-5-12-11-13(18)6-7-14(12)15/h6-7,11,15,19H,5,8-10,18H2,1-4H3.
What are the key properties of tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 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]ethyl]-N-methylcarbamate is sourced from PubChem (CID 107245207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).