tert-butyl N-[3-(benzylamino)propyl]carbamate

C15H24N2O2 — CID 10244573

IUPACtert-butyl N-[3-(benzylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-16-12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,17,18)
InChIKeyMUCVPGXECWXUCZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.69
Rot. Bonds6

About tert-butyl N-[3-(benzylamino)propyl]carbamate

tert-butyl N-[3-(benzylamino)propyl]carbamate (PubChem CID 10244573) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[3-(benzylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(benzylamino)propyl]carbamate
PubChem CID10244573
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[3-(benzylamino)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-16-12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,17,18)
InChIKeyMUCVPGXECWXUCZ-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Santacruzamate A
CID 72946782
N-Benzylacetamide
CID 11500
Ethyl benzylcarbamate
CID 75801
ethyl N-(2-phenylethyl)carbamate
CID 247630
(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-carbamic acid tert-butyl ester
CID 3217175
methyl N-benzylcarbamate
CID 232620
Tert-butyl 4-benzylpiperazine-1-carboxylate
CID 584330
tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamate
CID 2756043
tert-Butyl Benzylcarbamate
CID 4615331
4-Boc-aminomethyl-benzonitrile
CID 10799583
Benzylcarbamic acid;phenylmethanamine
CID 230053
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(benzylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(benzylamino)propyl]carbamate (CID 10244573) is tert-butyl N-[3-(benzylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(benzylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(benzylamino)propyl]carbamate is CC(C)(C)OC(=O)NCCCNCc1ccccc1.
What is the InChIKey of tert-butyl N-[3-(benzylamino)propyl]carbamate?
The InChIKey is MUCVPGXECWXUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)17-11-7-10-16-12-13-8-5-4-6-9-13/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(benzylamino)propyl]carbamate?
tert-butyl N-[3-(benzylamino)propyl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(benzylamino)propyl]carbamate is sourced from PubChem (CID 10244573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).