N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine

C20H45N3 — CID 87948910

IUPACN,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCN(CCN(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H45N3/c1-17(2,3)21-13-14-22(18(4,5)6)15-16-23(19(7,8)9)20(10,11)12/h21H,13-16H2,1-12H3
InChIKeyYYLWIOAYZBWXQT-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.37
Rot. Bonds6

About N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine

N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine (PubChem CID 87948910) has the molecular formula C20H45N3 and a molecular weight of 327.60 g/mol. Its IUPAC name is N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine
PubChem CID87948910
Molecular FormulaC20H45N3
Molecular Weight327.60 g/mol
Exact Mass327.36
IUPAC NameN,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCN(CCN(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C20H45N3/c1-17(2,3)21-13-14-22(18(4,5)6)15-16-23(19(7,8)9)20(10,11)12/h21H,13-16H2,1-12H3
InChIKeyYYLWIOAYZBWXQT-UHFFFAOYSA-N
XLogP4.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine (CID 87948910) is N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine is CC(C)(C)NCCN(CCN(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine?
The InChIKey is YYLWIOAYZBWXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3/c1-17(2,3)21-13-14-22(18(4,5)6)15-16-23(19(7,8)9)20(10,11)12/h21H,13-16H2,1-12H3.
What are the key properties of N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine?
N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine has a molecular weight of 327.60 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 87948910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).