tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate

C13H28N2O2 — CID 90685255

IUPACtert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
SMILESCC(C)CN[C@H](C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)9-15-11(3)7-8-14-12(16)17-13(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,14,16)/t11-/m1/s1
InChIKeyHMGNXCSHIDEDHE-LLVKDONJSA-N
MW244.38 g/mol
LogP2.54
Rot. Bonds6

About tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate

tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate (PubChem CID 90685255) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
PubChem CID90685255
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
SMILESCC(C)CN[C@H](C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-10(2)9-15-11(3)7-8-14-12(16)17-13(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,14,16)/t11-/m1/s1
InChIKeyHMGNXCSHIDEDHE-LLVKDONJSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
CID 59722489
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[3-amino-2-(2-methylpropylamino)-3-oxopropyl]carbamate
CID 102730720
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[(2-hydroxy-4-methylpentyl)amino]propyl]carbamate
CID 107151588

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate (CID 90685255) is tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate is CC(C)CN[C@H](C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate?
The InChIKey is HMGNXCSHIDEDHE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-10(2)9-15-11(3)7-8-14-12(16)17-13(4,5)6/h10-11,15H,7-9H2,1-6H3,(H,14,16)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate?
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate is sourced from PubChem (CID 90685255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).