tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate

C15H33N3O3 — CID 107245385

IUPACtert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(CCCN)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O3/c1-6-18(14(19)21-15(2,3)4)11-10-17-13(12-20-5)8-7-9-16/h13,17H,6-12,16H2,1-5H3
InChIKeySEBHYZGKDNIYLS-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.59
Rot. Bonds10

About tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate

tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate (PubChem CID 107245385) has the molecular formula C15H33N3O3 and a molecular weight of 303.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate
PubChem CID107245385
Molecular FormulaC15H33N3O3
Molecular Weight303.45 g/mol
Exact Mass303.25
IUPAC Nametert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(CCCN)COC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H33N3O3/c1-6-18(14(19)21-15(2,3)4)11-10-17-13(12-20-5)8-7-9-16/h13,17H,6-12,16H2,1-5H3
InChIKeySEBHYZGKDNIYLS-UHFFFAOYSA-N
XLogP1.59
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-methylcarbamate
CID 107245084
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246690
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]-5-methoxypentyl]carbamate
CID 103389814
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 102671978
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
CID 107257458
methyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylbutanoate
CID 89026168
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
CID 103388839
tert-butyl N-ethyl-N-(2-formamidoethyl)carbamate
CID 177330267
tert-butyl N-ethyl-N-[2-(1-phenylbutan-2-ylamino)ethyl]carbamate
CID 107245260
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate (CID 107245385) is tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate is CCN(CCNC(CCCN)COC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate?
The InChIKey is SEBHYZGKDNIYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O3/c1-6-18(14(19)21-15(2,3)4)11-10-17-13(12-20-5)8-7-9-16/h13,17H,6-12,16H2,1-5H3.
What are the key properties of tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate?
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate has a molecular weight of 303.45 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 107245385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).