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

C16H35N3O3 — CID 102729842

IUPACtert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
SMILESCCC(C)N(CCOC)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H35N3O3/c1-7-13(2)19(10-11-21-6)14(12-17)8-9-18-15(20)22-16(3,4)5/h13-14H,7-12,17H2,1-6H3,(H,18,20)
InChIKeyFINPISKZBJSATN-UHFFFAOYSA-N
MW317.47 g/mol
LogP1.98
Rot. Bonds10

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

tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate (PubChem CID 102729842) has the molecular formula C16H35N3O3 and a molecular weight of 317.47 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
PubChem CID102729842
Molecular FormulaC16H35N3O3
Molecular Weight317.47 g/mol
Exact Mass317.27
IUPAC Nametert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
SMILESCCC(C)N(CCOC)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H35N3O3/c1-7-13(2)19(10-11-21-6)14(12-17)8-9-18-15(20)22-16(3,4)5/h13-14H,7-12,17H2,1-6H3,(H,18,20)
InChIKeyFINPISKZBJSATN-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
CID 102729851
tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
CID 102730394
4-amino-3-[butan-2-yl(2-methoxyethyl)amino]-N-propylbutanamide
CID 66428258
tert-butyl 2-[butan-2-yl(2-methoxyethyl)amino]propanoate
CID 64688775
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
3-amino-2-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 104710921
tert-butyl N-[(3R,4R,5R)-4,6-diamino-3-ethyl-5-methylhexyl]carbamate
CID 164914687
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate
CID 138694050
tert-butyl N-(1-amino-3-methoxypropan-2-yl)-N-butan-2-ylcarbamate
CID 143200496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate (CID 102729842) is tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate is CCC(C)N(CCOC)C(CN)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate?
The InChIKey is FINPISKZBJSATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3/c1-7-13(2)19(10-11-21-6)14(12-17)8-9-18-15(20)22-16(3,4)5/h13-14H,7-12,17H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate has a molecular weight of 317.47 g/mol, XLogP of 1.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate is sourced from PubChem (CID 102729842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).