tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate

C13H26N2O3 — CID 107238325

IUPACtert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
SMILESCOCC(C)CNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(8-17-5)7-14-10-6-11(10)15-12(16)18-13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyKDHNSRRWCOZGCL-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.52
Rot. Bonds6

About tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate

tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate (PubChem CID 107238325) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
PubChem CID107238325
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate
SMILESCOCC(C)CNC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-9(8-17-5)7-14-10-6-11(10)15-12(16)18-13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyKDHNSRRWCOZGCL-UHFFFAOYSA-N
XLogP1.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cycloheptyl]carbamate
CID 103082529
tert-butyl N-[2-(1-methoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107237881
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[2-(3-methylbutylamino)cyclopropyl]carbamate
CID 107237740
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[2-(3,3-dimethylbutylamino)cyclopropyl]carbamate
CID 107237984
tert-butyl N-[2-(2-methylpropylamino)cycloheptyl]carbamate
CID 103082504
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)cyclopropyl]carbamate
CID 107238308
tert-butyl N-[2-(oxan-4-ylmethylamino)cyclopropyl]carbamate
CID 107238309
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-(2,2-dimethoxyethylamino)cyclopentyl]carbamate
CID 107243618
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate (CID 107238325) is tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate is COCC(C)CNC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate?
The InChIKey is KDHNSRRWCOZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(8-17-5)7-14-10-6-11(10)15-12(16)18-13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate?
tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-methoxy-2-methylpropyl)amino]cyclopropyl]carbamate is sourced from PubChem (CID 107238325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).