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

C14H31N3O3 — CID 102729785

IUPACtert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
SMILESCCN(CCOC)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-6-17(9-10-19-5)12(11-15)7-8-16-13(18)20-14(2,3)4/h12H,6-11,15H2,1-5H3,(H,16,18)
InChIKeyVIUGDUUPFUXNKM-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.20
Rot. Bonds9

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

tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate (PubChem CID 102729785) has the molecular formula C14H31N3O3 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
PubChem CID102729785
Molecular FormulaC14H31N3O3
Molecular Weight289.42 g/mol
Exact Mass289.24
IUPAC Nametert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
SMILESCCN(CCOC)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H31N3O3/c1-6-17(9-10-19-5)12(11-15)7-8-16-13(18)20-14(2,3)4/h12H,6-11,15H2,1-5H3,(H,16,18)
InChIKeyVIUGDUUPFUXNKM-UHFFFAOYSA-N
XLogP1.20
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-amino-3-[butan-2-yl(2-methoxyethyl)amino]butyl]carbamate
CID 102729842
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate
CID 102729788
tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
CID 102730394
tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
CID 102729851
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
4-amino-3-[ethyl(2-methoxyethyl)amino]-N-methylbutanamide
CID 66427989
tert-butyl N-[4-amino-3-(4-ethyl-N-methylanilino)butyl]carbamate
CID 102729926
tert-butyl N-[(3R,4R,5R)-4,6-diamino-3-ethyl-5-methylhexyl]carbamate
CID 164914687
tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate (CID 102729785) is tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate is CCN(CCOC)C(CN)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate?
The InChIKey is VIUGDUUPFUXNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3/c1-6-17(9-10-19-5)12(11-15)7-8-16-13(18)20-14(2,3)4/h12H,6-11,15H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate has a molecular weight of 289.42 g/mol, XLogP of 1.20, 9 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-[ethyl(2-methoxyethyl)amino]butyl]carbamate is sourced from PubChem (CID 102729785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).