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

C12H29N3 — CID 87746757

IUPACN'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCNC(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2,3)14-9-7-13-8-10-15-12(4,5)6/h13-15H,7-10H2,1-6H3
InChIKeyFFCMRCFIDXDCIK-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.35
Rot. Bonds6

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

N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine (PubChem CID 87746757) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
PubChem CID87746757
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCNC(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2,3)14-9-7-13-8-10-15-12(4,5)6/h13-15H,7-10H2,1-6H3
InChIKeyFFCMRCFIDXDCIK-UHFFFAOYSA-N
XLogP1.35
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine (CID 87746757) is N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine is CC(C)(C)NCCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
The InChIKey is FFCMRCFIDXDCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-11(2,3)14-9-7-13-8-10-15-12(4,5)6/h13-15H,7-10H2,1-6H3.
What are the key properties of N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-(tert-butylamino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 87746757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).