tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate

C14H31N3O2 — CID 107252640

IUPACtert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCCCN
InChIInChI=1S/C14H31N3O2/c1-11(2)14(6,17-9-7-8-15)10-16-12(18)19-13(3,4)5/h11,17H,7-10,15H2,1-6H3,(H,16,18)
InChIKeyAZHFTVABLLOHHR-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.86
Rot. Bonds7

About tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate

tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate (PubChem CID 107252640) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
PubChem CID107252640
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Nametert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate
SMILESCC(C)C(C)(CNC(=O)OC(C)(C)C)NCCCN
InChIInChI=1S/C14H31N3O2/c1-11(2)14(6,17-9-7-8-15)10-16-12(18)19-13(3,4)5/h11,17H,7-10,15H2,1-6H3,(H,16,18)
InChIKeyAZHFTVABLLOHHR-UHFFFAOYSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.86
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-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614
tert-butyl N-[2-(3-aminopropylamino)-2-cyclopropylpropyl]carbamate
CID 107252066
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
tert-butyl N-[(2-aminoethylamino)methyl]carbamate
CID 170030361
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[13-(3-aminopropylamino)-4-oxotridecyl]carbamate
CID 58260342
tert-butyl N-[2-[(4-hydroxyphenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 103953855
tert-butyl N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 11112477
tert-butyl N-[2,3-dimethyl-2-[(1-methylpiperidin-4-yl)methylamino]butyl]carbamate
CID 103097056
tert-butyl N-[13-(3-aminopropylamino)-2-methyl-4-oxotridecan-3-yl]carbamate
CID 58260199
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252627

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate (CID 107252640) is tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate is CC(C)C(C)(CNC(=O)OC(C)(C)C)NCCCN.
What is the InChIKey of tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate?
The InChIKey is AZHFTVABLLOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-11(2)14(6,17-9-7-8-15)10-16-12(18)19-13(3,4)5/h11,17H,7-10,15H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate?
tert-butyl N-[2-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate has a molecular weight of 273.42 g/mol, XLogP of 1.86, 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-(3-aminopropylamino)-2,3-dimethylbutyl]carbamate is sourced from PubChem (CID 107252640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).