tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate

C16H35N3O3 — CID 107246690

IUPACtert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
SMILESCOCC(CCCN)NCC(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H35N3O3/c1-13(10-18-14(12-21-6)8-7-9-17)11-19(5)15(20)22-16(2,3)4/h13-14,18H,7-12,17H2,1-6H3
InChIKeySAMKQLPTAJESLD-UHFFFAOYSA-N
MW317.47 g/mol
LogP1.83
Rot. Bonds10

About tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate

tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate (PubChem CID 107246690) has the molecular formula C16H35N3O3 and a molecular weight of 317.47 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
PubChem CID107246690
Molecular FormulaC16H35N3O3
Molecular Weight317.47 g/mol
Exact Mass317.27
IUPAC Nametert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
SMILESCOCC(CCCN)NCC(C)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H35N3O3/c1-13(10-18-14(12-21-6)8-7-9-17)11-19(5)15(20)22-16(2,3)4/h13-14,18H,7-12,17H2,1-6H3
InChIKeySAMKQLPTAJESLD-UHFFFAOYSA-N
XLogP1.83
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 51.83
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]-N-ethylcarbamate
CID 107245385
tert-butyl N-[3-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate
CID 107246753
tert-butyl N-[2-[(5-amino-1-methoxypentan-2-yl)amino]ethyl]carbamate
CID 107241392
4-N-[2-(dimethylamino)-2-methylpropyl]-5-methoxypentane-1,4-diamine
CID 103387429
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107442955
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2,2-difluoropropyl]carbamate
CID 107257458
tert-butyl N-[3-[[N-(3-methoxypropyl)-N'-methylcarbamimidoyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 111779323
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate (CID 107246690) is tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate is COCC(CCCN)NCC(C)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
The InChIKey is SAMKQLPTAJESLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3/c1-13(10-18-14(12-21-6)8-7-9-17)11-19(5)15(20)22-16(2,3)4/h13-14,18H,7-12,17H2,1-6H3.
What are the key properties of tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate?
tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate has a molecular weight of 317.47 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-2-methylpropyl]-N-methylcarbamate is sourced from PubChem (CID 107246690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).