tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate

C16H35N3O3 — CID 103387295

IUPACtert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCCCN(C)C
InChIInChI=1S/C16H35N3O3/c1-16(2,3)22-15(20)18-10-7-9-14(13-21-6)17-11-8-12-19(4)5/h14,17H,7-13H2,1-6H3,(H,18,20)
InChIKeyMJYKULZWXJZLSV-UHFFFAOYSA-N
MW317.47 g/mol
LogP1.85
Rot. Bonds11

About tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate

tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate (PubChem CID 103387295) has the molecular formula C16H35N3O3 and a molecular weight of 317.47 g/mol. Its IUPAC name is tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate
PubChem CID103387295
Molecular FormulaC16H35N3O3
Molecular Weight317.47 g/mol
Exact Mass317.27
IUPAC Nametert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NCCCN(C)C
InChIInChI=1S/C16H35N3O3/c1-16(2,3)22-15(20)18-10-7-9-14(13-21-6)17-11-8-12-19(4)5/h14,17H,7-13H2,1-6H3,(H,18,20)
InChIKeyMJYKULZWXJZLSV-UHFFFAOYSA-N
XLogP1.85
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate (CID 103387295) is tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NCCCN(C)C.
What is the InChIKey of tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate?
The InChIKey is MJYKULZWXJZLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3/c1-16(2,3)22-15(20)18-10-7-9-14(13-21-6)17-11-8-12-19(4)5/h14,17H,7-13H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate?
tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate has a molecular weight of 317.47 g/mol, XLogP of 1.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[3-(dimethylamino)propylamino]-5-methoxypentyl]carbamate is sourced from PubChem (CID 103387295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).