tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate

C14H28N2O3 — CID 115976671

IUPACtert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CC(O)C1(C)C
InChIInChI=1S/C14H28N2O3/c1-13(2,3)19-12(18)16-8-6-7-15-10-9-11(17)14(10,4)5/h10-11,15,17H,6-9H2,1-5H3,(H,16,18)
InChIKeyBXZWYGNJBUTNHP-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.65
Rot. Bonds5

About tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate

tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate (PubChem CID 115976671) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate
PubChem CID115976671
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNC1CC(O)C1(C)C
InChIInChI=1S/C14H28N2O3/c1-13(2,3)19-12(18)16-8-6-7-15-10-9-11(17)14(10,4)5/h10-11,15,17H,6-9H2,1-5H3,(H,16,18)
InChIKeyBXZWYGNJBUTNHP-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(2,2-dimethyloxan-4-yl)amino]propyl]carbamate
CID 83032600
tert-butyl N-[1-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]cyclobutyl]carbamate
CID 104537392
tert-butyl N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]cyclopropyl]carbamate
CID 107237603
tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-[(3,4-dimethylcyclohexyl)amino]propyl]carbamate;hydrochloride
CID 119031354
2-hydroxy-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoic acid
CID 114629488
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
2,2-dimethyl-3-(7-methyloctylamino)cyclobutan-1-ol
CID 112633337
tert-butyl N-[3-[(2-chloroacetyl)amino]propyl]carbamate
CID 15830736
tert-butyl N-[2-[(4,4-dimethylthian-3-yl)amino]ethyl]carbamate
CID 107241345

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate (CID 115976671) is tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNC1CC(O)C1(C)C.
What is the InChIKey of tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate?
The InChIKey is BXZWYGNJBUTNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)19-12(18)16-8-6-7-15-10-9-11(17)14(10,4)5/h10-11,15,17H,6-9H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate?
tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propyl]carbamate is sourced from PubChem (CID 115976671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).