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

C17H37N3O2 — CID 102729851

IUPACtert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
SMILESCCCCN(C(C)CC)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H37N3O2/c1-7-9-12-20(14(3)8-2)15(13-18)10-11-19-16(21)22-17(4,5)6/h14-15H,7-13,18H2,1-6H3,(H,19,21)
InChIKeyXTYZFFPJKIUZKX-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.13
Rot. Bonds10

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

tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate (PubChem CID 102729851) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
PubChem CID102729851
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC Nametert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate
SMILESCCCCN(C(C)CC)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H37N3O2/c1-7-9-12-20(14(3)8-2)15(13-18)10-11-19-16(21)22-17(4,5)6/h14-15H,7-13,18H2,1-6H3,(H,19,21)
InChIKeyXTYZFFPJKIUZKX-UHFFFAOYSA-N
XLogP3.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-amino-3-[butan-2-yl(butyl)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-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[(3R)-3-amino-4-ethyloctyl]carbamate
CID 163702622
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-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
tert-butyl N-butylcarbamate;methane
CID 153346289
(2S)-2-[butyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-2-methylhexanoic acid
CID 175182682
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
CID 107397726
tert-butyl N-[4-amino-3-(4-ethyl-N-methylanilino)butyl]carbamate
CID 102729926
tert-butyl N-[(3R)-3-[[1-[acetyl(pentyl)amino]-2-methylpropyl]amino]butyl]carbamate
CID 143464647

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate (CID 102729851) is tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate is CCCCN(C(C)CC)C(CN)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate?
The InChIKey is XTYZFFPJKIUZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O2/c1-7-9-12-20(14(3)8-2)15(13-18)10-11-19-16(21)22-17(4,5)6/h14-15H,7-13,18H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[butan-2-yl(butyl)amino]butyl]carbamate has a molecular weight of 315.50 g/mol, XLogP of 3.13, 10 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-[butan-2-yl(butyl)amino]butyl]carbamate is sourced from PubChem (CID 102729851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).