tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate

C15H30N2O2 — CID 107444454

IUPACtert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCC1CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-14(2,3)17(13(18)19-15(4,5)6)10-9-16-11-12-7-8-12/h12,16H,7-11H2,1-6H3
InChIKeyWXKSBRGKZJECPC-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds5

About tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate

tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate (PubChem CID 107444454) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
PubChem CID107444454
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCC1CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-14(2,3)17(13(18)19-15(4,5)6)10-9-16-11-12-7-8-12/h12,16H,7-11H2,1-6H3
InChIKeyWXKSBRGKZJECPC-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-tert-butyl-N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]ethyl]carbamate
CID 107445831
tert-butyl N-tert-butyl-N-[2-(1,4-dithian-2-ylmethylamino)ethyl]carbamate
CID 107446153
tert-butyl N-[2-(cyclobutylmethylamino)ethyl]-N-methylcarbamate
CID 107245079
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]ethyl]-N-propan-2-ylcarbamate
CID 107245646
tert-butyl N-tert-butyl-N-[2-(2-methylsulfonylethylamino)ethyl]carbamate
CID 107445324
tert-butyl N-[2-[(4-amino-4-oxobutyl)amino]ethyl]-N-tert-butylcarbamate
CID 107445309
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-(2-methoxypropylamino)ethyl]carbamate
CID 107446261
tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate
CID 107445850
tert-butyl N-tert-butyl-N-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethyl]carbamate
CID 106144990

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate (CID 107444454) is tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCC1CC1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate?
The InChIKey is WXKSBRGKZJECPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,3)17(13(18)19-15(4,5)6)10-9-16-11-12-7-8-12/h12,16H,7-11H2,1-6H3.
What are the key properties of tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107444454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).