tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate

C16H35N3O2 — CID 107442955

IUPACtert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNCC(CN)C(C)C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H35N3O2/c1-12(2)14(8-17)10-18-9-13(3)11-19(7)15(20)21-16(4,5)6/h12-14,18H,8-11,17H2,1-7H3
InChIKeyGHQSUPVFPBGPSL-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.31
Rot. Bonds8

About tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate (PubChem CID 107442955) has the molecular formula C16H35N3O2 and a molecular weight of 301.48 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
PubChem CID107442955
Molecular FormulaC16H35N3O2
Molecular Weight301.48 g/mol
Exact Mass301.27
IUPAC Nametert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
SMILESCC(CNCC(CN)C(C)C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H35N3O2/c1-12(2)14(8-17)10-18-9-13(3)11-19(7)15(20)21-16(4,5)6/h12-14,18H,8-11,17H2,1-7H3
InChIKeyGHQSUPVFPBGPSL-UHFFFAOYSA-N
XLogP2.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
tert-butyl N-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107246629
tert-butyl N-[1-[[2-(aminomethyl)-3-methylbutyl]amino]propan-2-yl]carbamate
CID 107442960
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246753
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
tert-butyl N-[(2R)-3-(ethylcarbamoylamino)-2-methylpropyl]-N-methylcarbamate
CID 97028935
tert-butyl N-[3-[(4-cyano-2,2-dimethylbutyl)amino]-2-methylpropyl]-N-methylcarbamate
CID 103699403
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716
tert-butyl N-methyl-N-[2-methyl-3-(oxolan-3-ylmethylamino)propyl]carbamate
CID 103897090
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246690
tert-butyl N-methyl-N-[2-methyl-3-[(3-methylcyclohexyl)methylamino]propyl]carbamate
CID 107246654
tert-butyl N-methyl-N-[2-methyl-3-[(4-methylcyclohexyl)amino]propyl]carbamate
CID 103699401

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate (CID 107442955) is tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate is CC(CNCC(CN)C(C)C)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate?
The InChIKey is GHQSUPVFPBGPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-12(2)14(8-17)10-18-9-13(3)11-19(7)15(20)21-16(4,5)6/h12-14,18H,8-11,17H2,1-7H3.
What are the key properties of tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate has a molecular weight of 301.48 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 107442955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).