tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate

C16H34N2O3 — CID 107442699

IUPACtert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate
SMILESCC(C)OCCNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-12(2)14(10-17-8-9-20-13(3)4)11-18-15(19)21-16(5,6)7/h12-14,17H,8-11H2,1-7H3,(H,18,19)
InChIKeyFSDYQBFJHSCODD-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.80
Rot. Bonds9

About tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate

tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate (PubChem CID 107442699) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate
PubChem CID107442699
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate
SMILESCC(C)OCCNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-12(2)14(10-17-8-9-20-13(3)4)11-18-15(19)21-16(5,6)7/h12-14,17H,8-11H2,1-7H3,(H,18,19)
InChIKeyFSDYQBFJHSCODD-UHFFFAOYSA-N
XLogP2.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate (CID 107442699) is tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate is CC(C)OCCNCC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate?
The InChIKey is FSDYQBFJHSCODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-12(2)14(10-17-8-9-20-13(3)4)11-18-15(19)21-16(5,6)7/h12-14,17H,8-11H2,1-7H3,(H,18,19).
What are the key properties of tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate?
tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-[(2-propan-2-yloxyethylamino)methyl]butyl]carbamate is sourced from PubChem (CID 107442699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).