2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine

C9H20N2 — CID 60695003

IUPAC2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)(C)N(C)C
InChIInChI=1S/C9H20N2/c1-6-7-10-8-9(2,3)11(4)5/h6,10H,1,7-8H2,2-5H3
InChIKeyQKBNBEUPXJMJFB-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds5

About 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 60695003) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID60695003
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)(C)N(C)C
InChIInChI=1S/C9H20N2/c1-6-7-10-8-9(2,3)11(4)5/h6,10H,1,7-8H2,2-5H3
InChIKeyQKBNBEUPXJMJFB-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine (CID 60695003) is 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)(C)N(C)C.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is QKBNBEUPXJMJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-6-7-10-8-9(2,3)11(4)5/h6,10H,1,7-8H2,2-5H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 60695003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).