tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate

C13H28N2O3 — CID 103391068

IUPACtert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
SMILESCCC(CCO)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-6-11(7-8-16)15-10(2)9-14-12(17)18-13(3,4)5/h10-11,15-16H,6-9H2,1-5H3,(H,14,17)
InChIKeyWADRZSMKCKPCCW-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.65
Rot. Bonds7

About tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate

tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate (PubChem CID 103391068) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
PubChem CID103391068
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Nametert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
SMILESCCC(CCO)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-6-11(7-8-16)15-10(2)9-14-12(17)18-13(3,4)5/h10-11,15-16H,6-9H2,1-5H3,(H,14,17)
InChIKeyWADRZSMKCKPCCW-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
CID 167219816
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)butyl]carbamate
CID 107251071
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate (CID 103391068) is tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate is CCC(CCO)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate?
The InChIKey is WADRZSMKCKPCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-6-11(7-8-16)15-10(2)9-14-12(17)18-13(3,4)5/h10-11,15-16H,6-9H2,1-5H3,(H,14,17).
What are the key properties of tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate?
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate has a molecular weight of 260.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate is sourced from PubChem (CID 103391068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).