tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate

C19H33N3O2 — CID 130163649

IUPACtert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
SMILESCN(CCCNCCCNC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H33N3O2/c1-19(2,3)24-18(23)21-14-8-12-20-13-9-15-22(4)16-17-10-6-5-7-11-17/h5-7,10-11,20H,8-9,12-16H2,1-4H3,(H,21,23)
InChIKeyTWPKWYJQRKWQPW-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.01
Rot. Bonds10

About tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate

tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate (PubChem CID 130163649) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
PubChem CID130163649
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Nametert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
SMILESCN(CCCNCCCNC(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H33N3O2/c1-19(2,3)24-18(23)21-14-8-12-20-13-9-15-22(4)16-17-10-6-5-7-11-17/h5-7,10-11,20H,8-9,12-16H2,1-4H3,(H,21,23)
InChIKeyTWPKWYJQRKWQPW-UHFFFAOYSA-N
XLogP3.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973
tert-butyl N-[[4-[3-[benzyl(methyl)amino]propylcarbamoyl]phenyl]methyl]carbamate
CID 41307191
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butanoate
CID 169156870
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
1-[3-[benzyl(methyl)amino]propyl]-3-tert-butylurea
CID 115573375
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
tert-butyl N-[3-[benzyl-[(2R)-3-chloro-2-hydroxypropyl]amino]propyl]carbamate
CID 11792629

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate (CID 130163649) is tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate is CN(CCCNCCCNC(=O)OC(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate?
The InChIKey is TWPKWYJQRKWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-19(2,3)24-18(23)21-14-8-12-20-13-9-15-22(4)16-17-10-6-5-7-11-17/h5-7,10-11,20H,8-9,12-16H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate?
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate has a molecular weight of 335.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate is sourced from PubChem (CID 130163649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).