tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate

C17H37N3O2 — CID 102729760

IUPACtert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
SMILESCCC(CC)CN(CC)C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H37N3O2/c1-8-14(9-2)12-20(10-3)15(11-18)13(4)19-16(21)22-17(5,6)7/h13-15H,8-12,18H2,1-7H3,(H,19,21)
InChIKeyFKHHUMNCCOMPGJ-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.98
Rot. Bonds9

About tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate

tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate (PubChem CID 102729760) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
PubChem CID102729760
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC Nametert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
SMILESCCC(CC)CN(CC)C(CN)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H37N3O2/c1-8-14(9-2)12-20(10-3)15(11-18)13(4)19-16(21)22-17(5,6)7/h13-15H,8-12,18H2,1-7H3,(H,19,21)
InChIKeyFKHHUMNCCOMPGJ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[2-ethoxyethyl(ethyl)amino]butan-2-yl]carbamate
CID 102730097
methyl 3-(diethylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 101356131
tert-butyl N-[4-amino-3-[benzyl(propyl)amino]butan-2-yl]carbamate
CID 130834870
tert-butyl N-[4-amino-3-[cyclobutyl(methyl)amino]butan-2-yl]carbamate
CID 102730487
tert-butyl N-[4-amino-3-(ethylamino)butan-2-yl]carbamate
CID 102729964
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
ethyl (4S)-3-(aminomethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 130293337
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(2S,3S)-3-hydroxypentan-2-yl]carbamate;ethane;molecular hydrogen
CID 144591557
tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509
tert-butyl N-[(1R)-1-aminopropyl]carbamate
CID 45092381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate (CID 102729760) is tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate is CCC(CC)CN(CC)C(CN)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate?
The InChIKey is FKHHUMNCCOMPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O2/c1-8-14(9-2)12-20(10-3)15(11-18)13(4)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-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate?
tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate has a molecular weight of 315.50 g/mol, XLogP of 2.98, 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-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 102729760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).