N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine

C12H24N2 — CID 62439179

IUPACN-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)CCNC(C)(C)C
InChIInChI=1S/C12H24N2/c1-6-9-14(10-7-2)11-8-13-12(3,4)5/h6-7,13H,1-2,8-11H2,3-5H3
InChIKeyKGIORKDQNFACPK-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.05
Rot. Bonds7

About N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine

N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine (PubChem CID 62439179) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
PubChem CID62439179
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)CCNC(C)(C)C
InChIInChI=1S/C12H24N2/c1-6-9-14(10-7-2)11-8-13-12(3,4)5/h6-7,13H,1-2,8-11H2,3-5H3
InChIKeyKGIORKDQNFACPK-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine (CID 62439179) is N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine is C=CCN(CC=C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
The InChIKey is KGIORKDQNFACPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-9-14(10-7-2)11-8-13-12(3,4)5/h6-7,13H,1-2,8-11H2,3-5H3.
What are the key properties of N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-bis(prop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 62439179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).