tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate

C16H33N3O2 — CID 102729861

IUPACtert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
SMILESCC(C)CCN(C1CC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-12(2)8-9-19(13-6-7-13)14(10-17)11-18-15(20)21-16(3,4)5/h12-14H,6-11,17H2,1-5H3,(H,18,20)
InChIKeyGZXXXNYTVDNPHW-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.35
Rot. Bonds8

About tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate

tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate (PubChem CID 102729861) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
PubChem CID102729861
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nametert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate
SMILESCC(C)CCN(C1CC1)C(CN)CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H33N3O2/c1-12(2)8-9-19(13-6-7-13)14(10-17)11-18-15(20)21-16(3,4)5/h12-14H,6-11,17H2,1-5H3,(H,18,20)
InChIKeyGZXXXNYTVDNPHW-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-[3-amino-2-[cyclopropyl(methyl)amino]propyl]carbamate
CID 102729530
tert-butyl N-[3-amino-2-[cyclobutyl(methyl)amino]propyl]carbamate
CID 102730486
tert-butyl N-[3-amino-2-[2-methylpropyl(propan-2-yl)amino]propyl]carbamate
CID 102729846
tert-butyl N-[3-amino-2-[(4-ethylcyclohexyl)-methylamino]propyl]carbamate
CID 102729795
tert-butyl N-[3-amino-2-[methyl-(1-methylpiperidin-4-yl)amino]propyl]carbamate
CID 102729450
tert-butyl N-[4-amino-3-[benzyl(cyclopropyl)amino]butyl]carbamate
CID 130935352
tert-butyl N-[4-amino-3-[bis(2-methylpropyl)amino]butyl]carbamate
CID 102729674
tert-butyl N-[3-amino-2-[2-(cyclopropylmethoxy)ethyl-methylamino]propyl]carbamate
CID 102730363
tert-butyl N-[3-amino-2-[2-methoxyethyl(propan-2-yl)amino]propyl]carbamate
CID 102730394
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate (CID 102729861) is tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate is CC(C)CCN(C1CC1)C(CN)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate?
The InChIKey is GZXXXNYTVDNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-12(2)8-9-19(13-6-7-13)14(10-17)11-18-15(20)21-16(3,4)5/h12-14H,6-11,17H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate?
tert-butyl N-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]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-[3-amino-2-[cyclopropyl(3-methylbutyl)amino]propyl]carbamate is sourced from PubChem (CID 102729861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).