tert-butyl N,N-bis(2-aminoethyl)carbamate

C9H21N3O2 — CID 12066943

IUPACtert-butyl N,N-bis(2-aminoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)CCN
InChIInChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7,10-11H2,1-3H3
InChIKeyVORKTMXRWZVRLA-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.14
Rot. Bonds4

About tert-butyl N,N-bis(2-aminoethyl)carbamate

tert-butyl N,N-bis(2-aminoethyl)carbamate (PubChem CID 12066943) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is tert-butyl N,N-bis(2-aminoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(2-aminoethyl)carbamate
PubChem CID12066943
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Nametert-butyl N,N-bis(2-aminoethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCN)CCN
InChIInChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7,10-11H2,1-3H3
InChIKeyVORKTMXRWZVRLA-UHFFFAOYSA-N
XLogP0.14
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(2-aminoethyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(2-aminoethyl)carbamate (CID 12066943) is tert-butyl N,N-bis(2-aminoethyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(2-aminoethyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(2-aminoethyl)carbamate is CC(C)(C)OC(=O)N(CCN)CCN.
What is the InChIKey of tert-butyl N,N-bis(2-aminoethyl)carbamate?
The InChIKey is VORKTMXRWZVRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7,10-11H2,1-3H3.
What are the key properties of tert-butyl N,N-bis(2-aminoethyl)carbamate?
tert-butyl N,N-bis(2-aminoethyl)carbamate has a molecular weight of 203.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(2-aminoethyl)carbamate is sourced from PubChem (CID 12066943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).