tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate

C16H34N2O3 — CID 103389434

IUPACtert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-15(2,3)12-18-13(11-20-7)9-8-10-17-14(19)21-16(4,5)6/h13,18H,8-12H2,1-7H3,(H,17,19)
InChIKeyJFWYARCNFSZNKL-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.94
Rot. Bonds8

About tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate (PubChem CID 103389434) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate
PubChem CID103389434
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCC(C)(C)C
InChIInChI=1S/C16H34N2O3/c1-15(2,3)12-18-13(11-20-7)9-8-10-17-14(19)21-16(4,5)6/h13,18H,8-12H2,1-7H3,(H,17,19)
InChIKeyJFWYARCNFSZNKL-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.94
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-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate (CID 103389434) is tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate?
The InChIKey is JFWYARCNFSZNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-15(2,3)12-18-13(11-20-7)9-8-10-17-14(19)21-16(4,5)6/h13,18H,8-12H2,1-7H3,(H,17,19).
What are the key properties of tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2,2-dimethylpropylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103389434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).