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

C13H28N2O2 — CID 81344324

IUPACtert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
SMILESCCCC(C)NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-8-11(2)14-9-7-10-15-12(16)17-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyHJNPVMJALPLAPB-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.68
Rot. Bonds7

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

tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate (PubChem CID 81344324) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
PubChem CID81344324
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
SMILESCCCC(C)NCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-6-8-11(2)14-9-7-10-15-12(16)17-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyHJNPVMJALPLAPB-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[3-(1-aminopropan-2-ylamino)propyl]carbamate
CID 107241253
tert-butyl N-[3-(octan-4-ylamino)propyl]carbamate
CID 106023862
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]propyl]carbamate
CID 130174309
tert-butyl N-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
CID 62198577
tert-butyl 3-(pentan-2-ylamino)propanoate
CID 46318488
tert-butyl N-methyl-N-[3-(pentan-2-ylamino)propyl]carbamate
CID 103781231
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]carbamate
CID 103781099
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
CID 24688510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate (CID 81344324) is tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate is CCCC(C)NCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate?
The InChIKey is HJNPVMJALPLAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-8-11(2)14-9-7-10-15-12(16)17-13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate?
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate has a molecular weight of 244.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate is sourced from PubChem (CID 81344324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).