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

C16H33N3O2 — CID 107397726

IUPACtert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
SMILESCCN(CC1CCC1)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-5-19(12-13-7-6-8-13)14(11-17)9-10-18-15(20)21-16(2,3)4/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyFDLFDEJXTYEAIK-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.35
Rot. Bonds8

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

tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate (PubChem CID 107397726) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
PubChem CID107397726
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nametert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate
SMILESCCN(CC1CCC1)C(CN)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-5-19(12-13-7-6-8-13)14(11-17)9-10-18-15(20)21-16(2,3)4/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyFDLFDEJXTYEAIK-UHFFFAOYSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-amino-3-[ethyl(2-methoxyethyl)amino]butyl]carbamate
CID 102729785
tert-butyl N-[4-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]butyl]carbamate
CID 102729991
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-ethylbutanamide
CID 107397676
tert-butyl N-[4-amino-3-[ethyl(pyridin-4-ylmethyl)amino]butyl]carbamate
CID 102729788
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
2-[cyclopentylmethyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoic acid
CID 155693481
tert-butyl N-[4-amino-3-[methyl(thiolan-3-yl)amino]butyl]carbamate
CID 102729571
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[4-amino-3-(cyclopentylamino)butyl]carbamate
CID 102730201
4-amino-N-tert-butyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432868
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
CID 130935352

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate (CID 107397726) is tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate is CCN(CC1CCC1)C(CN)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate?
The InChIKey is FDLFDEJXTYEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-19(12-13-7-6-8-13)14(11-17)9-10-18-15(20)21-16(2,3)4/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate?
tert-butyl N-[4-amino-3-[cyclobutylmethyl(ethyl)amino]butyl]carbamate has a molecular weight of 299.46 g/mol, XLogP of 2.35, 8 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-[cyclobutylmethyl(ethyl)amino]butyl]carbamate is sourced from PubChem (CID 107397726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).