tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate

C17H37N3O2 — CID 102729674

IUPACtert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
SMILESCC(C)CN(CC(C)C)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H37N3O2/c1-13(2)11-20(12-14(3)4)15(10-18)8-9-19-16(21)22-17(5,6)7/h13-15H,8-12,18H2,1-7H3,(H,19,21)
InChIKeyGFYFURWDBFTCAL-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.84
Rot. Bonds9

About tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate

tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate (PubChem CID 102729674) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
PubChem CID102729674
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC Nametert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
SMILESCC(C)CN(CC(C)C)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H37N3O2/c1-13(2)11-20(12-14(3)4)15(10-18)8-9-19-16(21)22-17(5,6)7/h13-15H,8-12,18H2,1-7H3,(H,19,21)
InChIKeyGFYFURWDBFTCAL-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
CID 102729851
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate
CID 102729788
tert-butyl N-[4-amino-3-(4-fluoro-N-methylanilino)butyl]carbamate
CID 102729914
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
CID 102729861
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[4-amino-3-(4-ethyl-N-methylanilino)butyl]carbamate
CID 102729926

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate (CID 102729674) is tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate is CC(C)CN(CC(C)C)C(CN)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate?
The InChIKey is GFYFURWDBFTCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O2/c1-13(2)11-20(12-14(3)4)15(10-18)8-9-19-16(21)22-17(5,6)7/h13-15H,8-12,18H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate has a molecular weight of 315.50 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate is sourced from PubChem (CID 102729674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).